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CN112818540B - Method for predicting performance of Berleman matrix on multilayer optical film - Google Patents

Method for predicting performance of Berleman matrix on multilayer optical film Download PDF

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CN112818540B
CN112818540B CN202110130498.3A CN202110130498A CN112818540B CN 112818540 B CN112818540 B CN 112818540B CN 202110130498 A CN202110130498 A CN 202110130498A CN 112818540 B CN112818540 B CN 112818540B
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谢晓晨
万喆
向后润一
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South China University of Technology SCUT
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Abstract

The invention discloses a method for predicting the performance of a multilayer optical film by a Berleman matrix. The method comprises the steps of obtaining experimental spectral data and known data of materials of all layers; fitting the optical calculated values with the experimental values by using a Berleman 4 x 4 matrix; and obtaining the calculation result after optimization, and outputting data of the related parameters and the image. The method can accurately perform analog calculation on the thickness, the dispersion coefficient and the refractive index of the material to obtain a simulated value approximate to an analytic solution, and can calculate the refractive index change condition of the material under the conditions of wavelength change and wavelength invariance through the calculated dispersion coefficient.

Description

一种Berreman矩阵对多层光学膜性能的预测方法A Prediction Method of Berreman Matrix for the Properties of Multilayer Optical Films

技术领域technical field

本发明属于光学模拟与光学器件应用领域,具体涉及一种Berreman矩阵对多层光学膜性能的预测方法。The invention belongs to the field of optical simulation and optical device application, in particular to a method for predicting the performance of a multilayer optical film by a Berreman matrix.

背景技术Background technique

多层光学膜作为广泛应用生产的工业制品,因其兼顾优良的光学性能与体积的可控性,所以在多领域均有广泛的应用,比如ITO玻璃、液晶显示器、光学取向材料、光伏镀膜材料、光伏封装工艺等。As a widely used industrial product, multilayer optical film has a wide range of applications in many fields because of its excellent optical properties and volume controllability, such as ITO glass, liquid crystal displays, optical alignment materials, photovoltaic coating materials , Photovoltaic packaging process, etc.

传统方法在使用菲涅尔定律方法计算椭偏参数时,在面对各向异性材料时只能计算样品在特定入射光方向下的椭偏参数,这无疑难以适应复杂情况下对于多层膜材料光学性能的计算;而Berreman 4×4矩阵方法可适用多层各向同性与各向异性相结合的复合材料中,各层中的电场与磁场可根据麦克斯韦电磁学方程组直接求解得出,并经由一系列推导获得一个4×4矩阵,该矩阵即为所述 Berreman 4×4矩阵方法。When the traditional method uses the Fresnel law method to calculate the ellipsometry parameters, it can only calculate the ellipsometry parameters of the sample under a specific incident light direction when facing anisotropic materials, which is undoubtedly difficult to adapt to the complex situation for multilayer film materials. The calculation of optical properties; and the Berreman 4×4 matrix method can be applied to composite materials with a combination of multi-layer isotropy and anisotropy, and the electric and magnetic fields in each layer can be directly solved according to Maxwell’s electromagnetic equations, and A 4×4 matrix is obtained through a series of derivations, which is the Berreman 4×4 matrix method.

由于多层光学膜材料中存在各类不同的材料,其色散系数、消光系数、厚度、pitch长度也各有区别,若手动计算各层的相关参数则需要较久时间,利用 Berreman 4×4矩阵方法进行计算则可以较快得出各层膜的各项参数。Due to the existence of various materials in the multilayer optical film material, the dispersion coefficient, extinction coefficient, thickness, and pitch length are also different. It takes a long time to manually calculate the relevant parameters of each layer. The Berreman 4×4 matrix is used. The calculation method can quickly obtain the parameters of each layer of film.

蒙特卡洛(Monte Carlo)算法是一种数学统计方法,常被应用于解决随机过程的问题。对于光学模拟而言,利用随机数寻址并逐步减少计算值与实验值之间的差距,其效率要高于手动设置参数通过二分法进行计算,同时可以得到接近解析值的近似仿真结果。将蒙特卡洛(Monte Carlo)算法与Berreman 4×4矩阵相结合,可以利用蒙特卡洛方法快速求出接近实验值的Berreman 4×4矩阵及所对应的琼斯矩阵,然后可将琼斯(Jones)矩阵转化为透过率与吸收率。Monte Carlo (Monte Carlo) algorithm is a mathematical statistical method, which is often used to solve problems of random processes. For optical simulation, using random number addressing and gradually reducing the gap between the calculated value and the experimental value is more efficient than manually setting parameters to calculate by the dichotomy method, and at the same time, approximate simulation results close to the analytical value can be obtained. Combining the Monte Carlo algorithm with the Berreman 4×4 matrix, the Monte Carlo method can be used to quickly obtain the Berreman 4×4 matrix close to the experimental value and the corresponding Jones matrix, and then Jones can be The matrix is converted to transmittance and absorbance.

在查询对于多层光学膜的性能过程中,已有的技术一般为通过测厚仪来测量膜的厚度,但对于色散系数这样的不能直接通过仪器测量的参数而言就难以准确测量,在涂昊等人发明的《一种蒙特卡洛焦平面成像光学自动设计方法》中,介绍了如何利用蒙特卡洛法在焦平面成像中优化成像图像的应用,但未涉及如何对多层光学膜的厚度等性能参数进行蒙特卡洛法的计算,为了填补这一空白,本发明利用Berreman 4×4矩阵和蒙特卡洛方法相结合的方式,对多层光学膜各层的厚度均可以进行模拟并与实际实验结果进行对照的方式,来直观的通过模拟与实际对比的的方式来预测其厚度、折射率、色散系数这样的参数。In the process of querying the performance of multilayer optical films, the existing technology is generally to measure the thickness of the film by a thickness gauge, but it is difficult to accurately measure parameters such as dispersion coefficient that cannot be directly measured by the instrument. In "An Automatic Design Method of Monte Carlo Focal Plane Imaging Optical" invented by Hao et al., it introduces how to use the Monte Carlo method to optimize the application of imaging images in focal plane imaging, but does not cover how to optimize the application of multi-layer optical films. The performance parameters such as thickness are calculated by the Monte Carlo method. In order to fill this gap, the present invention uses the Berreman 4×4 matrix combined with the Monte Carlo method to simulate and calculate the thickness of each layer of the multilayer optical film. By comparing with the actual experimental results, we can intuitively predict parameters such as thickness, refractive index, and dispersion coefficient by comparing the simulation and actual results.

发明内容SUMMARY OF THE INVENTION

目前,在实验室条件与工业生产中,常会在玻璃、PMMA、石英等光学材料上涂敷一定层数的不同材料制成的光学涂层以获得所需的性能。本发明所要解决的技术问题在于提供了一种可以在不能确定各层厚度、折射率、色散系数、消光系数等重要参数的情况下,通过蒙特卡洛(Monte Carlo)方法获得近似于解析值的仿真值。At present, in laboratory conditions and industrial production, optical materials such as glass, PMMA, quartz and other optical materials are often coated with a certain number of layers of optical coatings made of different materials to obtain the desired performance. The technical problem to be solved by the present invention is to provide a method that can obtain the approximate analytical value by the Monte Carlo method when the important parameters such as the thickness of each layer, refractive index, dispersion coefficient and extinction coefficient cannot be determined. Simulation value.

本发明的目的至少通过如下技术方案之一实现。The object of the present invention is achieved by at least one of the following technical solutions.

一种Berreman矩阵对多层光学膜性能的预测方法,包括以下步骤:A method for predicting properties of multilayer optical films by Berreman matrix, comprising the following steps:

S1、通过实验测得实验值即实验测得实验值即放置有多层光学膜时的样品光谱数据,以及未放置样品时的本底数据,进而通过将样品数据与本底数据相减得出多层光学膜的透过率或吸收率数据;S1. The experimental value measured by the experiment is the spectral data of the sample when the multilayer optical film is placed, and the background data when the sample is not placed, and then obtained by subtracting the sample data and the background data. Transmission or absorption data of multilayer optical films;

S2、对于需要计算的参数选取初始值代入Berreman 4×4矩阵,获得基于初始值的仿真曲线,并求出初始仿真值与实验值之间的最小二乘法差值

Figure BDA0002925000670000021
S2. For the parameters to be calculated, select the initial value and substitute it into the Berreman 4×4 matrix to obtain the simulation curve based on the initial value, and obtain the least square difference between the initial simulation value and the experimental value.
Figure BDA0002925000670000021

S3、对仿真曲线中的一个初始仿真值在其周围选取随机值代入Berreman 4×4 矩阵中,获取基于随机值的仿真曲线并求出随机仿真值与实验值之间的最小二乘法差值χ2S3. For an initial simulation value in the simulation curve, select a random value around it and substitute it into the Berreman 4×4 matrix to obtain a simulation curve based on random values and obtain the least-squares difference χ between the random simulation value and the experimental value 2 ;

S4、比较χ2

Figure BDA0002925000670000022
的大小,若
Figure BDA0002925000670000023
则返回步骤S3中重新选取随机值,若
Figure BDA0002925000670000024
则跳至步骤S5;S4, compare χ 2 with
Figure BDA0002925000670000022
size, if
Figure BDA0002925000670000023
Then return to step S3 to re-select the random value, if
Figure BDA0002925000670000024
Then skip to step S5;

S5、判断χ2是否小于

Figure BDA0002925000670000025
的2.5%,若是,则跳至步骤S6,否则返回步骤S3 中,采用选取的随机值代替初始仿真值,采用χ2替换
Figure BDA0002925000670000026
并重新选取随机值进行计算,在选取新的随机值的时候缩减取值范围至原来的95.5%即高斯分布的2σ大小;S5, determine whether χ 2 is less than
Figure BDA0002925000670000025
2.5% of , if yes, skip to step S6, otherwise return to step S3, use the selected random value to replace the initial simulation value, and use χ 2 to replace
Figure BDA0002925000670000026
And re-select random values for calculation, when selecting new random values, reduce the value range to 95.5% of the original, that is, the 2σ size of the Gaussian distribution;

S6、输出最终的初始仿真值作为已知参数,并重复步骤S3~步骤S5,直至仿真值曲线中的所有初始仿真值均得以计算,输出所求最优解以及对比图;S6, output the final initial simulation value as a known parameter, and repeat steps S3 to S5 until all the initial simulation values in the simulation value curve are calculated, and output the optimal solution and the comparison chart;

S7、重复步骤S3~步骤S6、对多次获取的最优解求平均值以保证准确性。S7. Repeat steps S3 to S6, and average the optimal solutions obtained for multiple times to ensure accuracy.

进一步地,步骤S2中,所需要计算求取的参数包括:厚度、折射率、色散系数、消光系数、光的入射角度;对于需要计算的参数,若已知其理论值或取值范围,则依照已知参数设定一个取值范围与理论值进行计算;缺乏可参考的理论值时,则选取一个具有类似材料组成并可查阅到上述参数理论值的材料参数理论值作为初始值;Further, in step S2, the parameters that need to be calculated and obtained include: thickness, refractive index, dispersion coefficient, extinction coefficient, and incident angle of light; for the parameters to be calculated, if the theoretical value or value range is known, then Set a value range and theoretical value according to the known parameters for calculation; when there is no theoretical value that can be referenced, select a material parameter theoretical value with similar material composition and the theoretical value of the above parameter can be consulted as the initial value;

将初始值代入到Berreman 4×4矩阵中进行计算,并利用计算所得的Jones矩阵获得基于初始值的仿真值曲线即透过率或吸收率曲线,进而根据仿真值曲线得到初始仿真值;Substitute the initial value into the Berreman 4×4 matrix for calculation, and use the calculated Jones matrix to obtain a simulation value curve based on the initial value, that is, the transmittance or absorptivity curve, and then obtain the initial simulation value according to the simulation value curve;

采用最小二乘法计算初始仿真值与实验值之间的差值

Figure BDA0002925000670000027
具体如下:Calculate the difference between the initial simulated and experimental values using the least squares method
Figure BDA0002925000670000027
details as follows:

Figure BDA0002925000670000031
Figure BDA0002925000670000031

式中,n表示测量的实验值的数量,即测量的实验值和初始仿真值在各点波长一一对应的条件下计算

Figure BDA0002925000670000032
In the formula, n represents the number of measured experimental values, that is, the measured experimental values and the initial simulation values are calculated under the condition that the wavelengths of each point correspond one-to-one.
Figure BDA0002925000670000032

进一步地,步骤S3中,以正态分布的方式对仿真值曲线中的一个参数在其周围选取随机值:以初始仿真值为原点获取一个随机数,生成的随机数的概率相对于初始仿真值的位置服从正态分布;将生成的随机值代入到Berreman 4×4矩阵中进行计算,并利用计算所得的Jones矩阵获得基于随机值的仿真值曲线即仿真透过率或吸收率曲线,进而得到蒙特卡洛法的随机仿真值,计算随机仿真值与实验值之间的最小二乘法差值χ2,具体如下:Further, in step S3, a random value is selected around a parameter in the simulation value curve in a normal distribution manner: a random number is obtained at the origin with the initial simulation value, and the probability of the generated random number is relative to the initial simulation value. The position of , obeys the normal distribution; the generated random values are substituted into the Berreman 4×4 matrix for calculation, and the calculated Jones matrix is used to obtain the simulated value curve based on the random value, that is, the simulated transmittance or absorption rate curve, and then obtain For the random simulation value of the Monte Carlo method, calculate the least squares difference χ 2 between the random simulation value and the experimental value, as follows:

Figure BDA0002925000670000033
Figure BDA0002925000670000033

式中,n表示测量的实验值的数量,即测量的实验值和随机仿真值在各点波长一一对应的条件下计算χ2In the formula, n represents the number of measured experimental values, that is, χ 2 is calculated under the condition that the measured experimental values and random simulation values correspond to the wavelengths of each point one-to-one.

进一步地,Berreman 4×4矩阵的主要形式为:Further, the main form of the Berreman 4×4 matrix is:

Figure BDA0002925000670000034
Figure BDA0002925000670000034

式中,kxx为斯涅尔定律的一种定义形式:where k xx is a defined form of Snell's law:

kxx=ni sinθik xx =n i sinθ i ;

其中,ni为入射平面的折射率,如:真空中ni为1,玻璃平面的ni一般为 1.5-1.9,具体数值视组成材料而定,在测试时使用的ni在一般情况下当入射平面为玻璃或石英等透明材料时均可以很容易查到折射率的数值,θi为入射平面上的入射角;使用斯涅尔定律进行计算均可归为此类范畴;Among them, ni is the refractive index of the incident plane. For example, ni is 1 in vacuum, and ni of glass plane is generally 1.5-1.9. The specific value depends on the composition material. The ni used in the test is generally When the incident plane is a transparent material such as glass or quartz, the value of the refractive index can be easily found, and θ i is the incident angle on the incident plane; all calculations using Snell's law can be classified into this category;

该Berreman 4×4矩阵包括且不限于上述Berreman 4×4矩阵的主要形式的各种展开推导、共轭以及转换形式。The Berreman 4x4 matrix includes, but is not limited to, various expanded derivations, conjugates, and transformed forms of the principal forms of the Berreman 4x4 matrix described above.

进一步地,根据Berreman 4×4矩阵求出透过率或吸收率的算法表示如下:Further, the algorithm for calculating transmittance or absorptivity according to the Berreman 4×4 matrix is expressed as follows:

首先,利用折射率求出多层光学膜材料的椭偏介电张量:First, use the refractive index to find the ellipsometric dielectric tensor of the multilayer optical film material:

当材料为各向同性材料时,nx=ny=nzWhen the material is an isotropic material, n x = ny =n z ;

Figure BDA0002925000670000041
Figure BDA0002925000670000041

通过坐标转换,将入射角转换为以欧拉角为表现形式的新矩阵:Convert the angle of incidence to a new matrix in the form of Euler angles by coordinate transformation:

Figure BDA0002925000670000042
Figure BDA0002925000670000042

而后采用矩阵B将介电张量转化为椭圆偏振状态下的椭偏介电张量,其转换公式如下:Then the matrix B is used to convert the dielectric tensor into the elliptical dielectric tensor in the elliptically polarized state. The conversion formula is as follows:

Figure BDA0002925000670000043
Figure BDA0002925000670000043

从而可将εxx等9个椭偏介电常量代回到Berreman 4×4矩阵的相对应系数中,并求得Berreman 4×4矩阵对应的四个特征值,并将其分别表示为:q1,q2,q3,q4Thus, 9 elliptic dielectric constants such as ε xx can be substituted back into the corresponding coefficients of the Berreman 4×4 matrix, and the four eigenvalues corresponding to the Berreman 4×4 matrix can be obtained and expressed as: q 1 , q 2 , q 3 , q 4 ;

对特征值进行变换可获得相应的琼斯(Jones)矩阵以及对应的琼斯(Jones)向量,对相应的琼斯(Jones)向量乘以其共轭之后,即可得到对应波长的透过率或者吸收率的数值;将所有的波段对应点计算完毕之后,即可得到每一层对应透过率或者吸收率的部分转移矩阵Tp(-d),将每层的Tp(-d)进行连乘,即可得到多层光学膜整体的对应透过率或者吸收率在Berreman 4×4矩阵中对应的转移矩阵T。The corresponding Jones matrix and the corresponding Jones vector can be obtained by transforming the eigenvalues. After multiplying the corresponding Jones vector by its conjugate, the transmittance or absorptivity of the corresponding wavelength can be obtained. After calculating the corresponding points of all the bands, the partial transfer matrix Tp(-d) corresponding to the transmittance or absorptivity of each layer can be obtained, and the Tp(-d) of each layer is multiplied continuously, that is The transition matrix T corresponding to the corresponding transmittance or absorptivity of the entire multilayer optical film in the Berreman 4×4 matrix can be obtained.

进一步地,部分转移矩阵与所求特征值之间的转换公式表示如下:Further, the conversion formula between the partial transition matrix and the obtained eigenvalues is expressed as follows:

Tp(-d)=β0I+β1ΔB2ΔB 23ΔB 3Tp(-d)=β 0 I+β 1 Δ B2 Δ B 23 Δ B 3 ;

其中,I为单位矩阵,q为对应的特征值q1,q2,q3,q4,具体如下:Among them, I is the identity matrix, and q is the corresponding eigenvalues q 1 , q 2 , q 3 , q 4 , as follows:

Figure BDA0002925000670000044
Figure BDA0002925000670000044

Figure BDA0002925000670000045
Figure BDA0002925000670000045

Figure BDA0002925000670000051
Figure BDA0002925000670000051

Figure BDA0002925000670000052
Figure BDA0002925000670000052

其中,j=1时,(k,l,m)=(2,3,4);j=2时,(k,l,m)=(1,3,4);j=3时, (k,l,m)=(1,2,4);j=4时,(k,l,m)=(1,2,3);Among them, when j=1, (k,l,m)=(2,3,4); when j=2, (k,l,m)=(1,3,4); when j=3, ( k,l,m)=(1,2,4); when j=4, (k,l,m)=(1,2,3);

转移矩阵T与Jones向量之间的关系可表示为:The relationship between the transition matrix T and the Jones vector can be expressed as:

Figure BDA0002925000670000053
Figure BDA0002925000670000053

Figure BDA0002925000670000054
Figure BDA0002925000670000054

Figure BDA0002925000670000055
Figure BDA0002925000670000055

Figure BDA0002925000670000056
Figure BDA0002925000670000056

Figure BDA0002925000670000057
Figure BDA0002925000670000057

琼斯(Jones)矩阵则可以表示为:The Jones matrix can be expressed as:

Figure BDA0002925000670000058
Figure BDA0002925000670000058

由琼斯(Jones)矩阵以及琼斯(Jones)向量就可得出仿真值曲线即多层光学膜的透过率或吸收率曲线。The simulation value curve, ie, the transmittance or absorptivity curve of the multilayer optical film, can be obtained from the Jones matrix and the Jones vector.

进一步地,步骤S6中,所述最优解包括所有已知参数以及所有已知参数对应的χ2;所述对比图为最终输出的仿真值和初始值之间的对比图以及最终输出的仿真值和实验值的对比图;Further, in step S6, the optimal solution includes all known parameters and χ 2 corresponding to all known parameters; the comparison diagram is the comparison diagram between the final output simulation value and the initial value and the final output simulation Comparison chart of values and experimental values;

步骤S7中,在初始条件相同的情况下以同样方式多获取几组符合要求的初始仿真值结果,并对所得所有的初始仿真值各点求平均值,获得平均初始仿真值参数以及仿真值拟合曲线,输出该平均初始仿真值参数对应的仿真值拟合曲线以及平均初始仿真值和实验值的对比图。In step S7, under the same initial conditions, several sets of initial simulation value results that meet the requirements are obtained in the same way, and all the obtained initial simulation value points are averaged to obtain the average initial simulation value parameter and simulation value simulation value. The fitting curve of the simulation value corresponding to the average initial simulation value parameter and the comparison chart of the average initial simulation value and the experimental value are output.

多层光学膜可以是多层可透光光学膜,也可以是多个多层可透光光学膜堆叠形成;多层光学膜包括一种或多种可透光光学膜;所述可透光光学膜为在光学材料上涂敷光学涂层;The multilayer optical film may be a multilayer light-transmitting optical film, or a plurality of multilayer light-transmitting optical films may be stacked; the multilayer optical film includes one or more light-transmitting optical films; the light-transmitting optical film Optical film is to apply optical coating on optical material;

光学材料包括玻璃、PMMA、石英以及萤石;光学涂层包括液晶、OLED 光学材料、AMOLED光学材料;Optical materials include glass, PMMA, quartz and fluorite; optical coatings include liquid crystal, OLED optical materials, AMOLED optical materials;

若多层可透光光学膜中仍有空间或为上下对称且中空,也可加入具有光学性能的物质,包括液晶、OLED光学材料、AMOLED光学材料和机动球蛋白马达材料。If there is still space in the multilayer transparent optical film or it is symmetrical and hollow, substances with optical properties can also be added, including liquid crystal, OLED optical materials, AMOLED optical materials and motor globulin motor materials.

进一步地,在步骤S3~步骤S5中使用蒙特卡洛法进行优化,即选取一定范围内的大量随机值进行计算,但本发明中随机值的选取又符合在已有参数值附近取值概率呈高斯分布的特点,即靠近已有参数值的取值概率会被提升,其概率分布服从高斯分布,这种做法既符合常识也可减少完全随机值计算造成的算力浪费以节约时间。Further, the Monte Carlo method is used for optimization in steps S3 to S5, that is, a large number of random values within a certain range are selected for calculation, but the selection of random values in the present invention also conforms to the probability of taking values near the existing parameter values. The characteristics of the Gaussian distribution, that is, the probability of taking values close to the existing parameter values will be increased, and the probability distribution obeys the Gaussian distribution. This approach is not only in line with common sense, but also reduces the waste of computing power caused by completely random value calculations to save time.

与现有技术相比,本发明具有如下优点和有益效果:Compared with the prior art, the present invention has the following advantages and beneficial effects:

本发明所提出的是一种Berreman矩阵对多层光学膜性能的预测方法,其中使用了Berreman 4×4矩阵与蒙特卡洛方法。首先,基于Berreman 4×4矩阵的计算方法通过使用少量重要参数即可准确求出多层光学膜的相关光谱数据,无需考虑其他干扰因素,很大程度上提高了检测手段的实用性与准确性;值得强调的是,Berreman 4×4矩阵方程是麦克斯韦方程组的精确解,可以直接由麦克斯韦方程组推导得出,且不需要任何限制性假设,因此它的解也具有准确性。Berreman 4×4矩阵方法的优点在于只需要厚度,折射率,pitch长度,入射角度等少量便于测量的重要参数即可对材料的透过率与材料的琼斯矩阵等进行精确计算,并且根据琼斯(Jones)矩阵还可推导出材料更多待发现的光学性能,具有实用性与准确性。The present invention proposes a method for predicting properties of multilayer optical films by Berreman matrix, wherein Berreman 4×4 matrix and Monte Carlo method are used. First, the calculation method based on the Berreman 4×4 matrix can accurately obtain the relevant spectral data of the multilayer optical film by using a small number of important parameters without considering other interference factors, which greatly improves the practicability and accuracy of the detection method. ; It is worth emphasizing that the Berreman 4 × 4 matrix equation is an exact solution of Maxwell's equations, which can be directly derived from Maxwell's equations without any restrictive assumptions, so its solution is also accurate. The advantage of the Berreman 4×4 matrix method is that only a few important parameters such as thickness, refractive index, pitch length, incident angle, etc., which are easy to measure, can accurately calculate the transmittance of the material and the Jones matrix of the material, and according to Jones ( Jones) matrix can also deduce more optical properties of the material to be discovered, with practicality and accuracy.

其次,使用蒙特卡洛(Monte Carlo)方法选取大量随机值进行自动化计算可以减少手动调整参数的工作量,同时能获得相对准确的仿真值,通过蒙特卡洛方法进行自动化调参解决了传统方法手动尝试效率低下的问题,可以较好的实现检测方式的自动化与快速化。同时,由于设置了χ2作为对比,因此可以有效且直观的量化模拟的效果。Secondly, using the Monte Carlo method to select a large number of random values for automatic calculation can reduce the workload of manual parameter adjustment, and at the same time can obtain relatively accurate simulation values. Trying low-efficiency problems can better automate and speed up detection methods. At the same time, since χ 2 is set as a contrast, the effect of the simulation can be quantified effectively and intuitively.

本发明较为准确地对材料的厚度、色散系数、折射率进行模拟计算并获得近似于解析解的仿真值,并可以通过计算所得的色散系数计算在波长变化以及波长不变情况材料下的折射率变化情况。The invention can simulate and calculate the thickness, dispersion coefficient and refractive index of the material more accurately and obtain the simulation value approximate to the analytical solution, and can calculate the refractive index of the material under the condition of wavelength change and wavelength constant through the calculated dispersion coefficient Changes.

附图说明Description of drawings

图1为本发明一种Berreman矩阵对多层光学膜性能的预测方法的布骤流程图;Fig. 1 is a kind of Berreman matrix of the present invention to the method for predicting the performance of multilayer optical film.

图2为本发明实施例中的多层光学膜结构图;2 is a structural diagram of a multilayer optical film in an embodiment of the present invention;

图3为本发明实施例中实验测量所得实验结果的光谱图;Fig. 3 is the spectrogram of the experimental result obtained by experimental measurement in the embodiment of the present invention;

图4为本发明实施例中的使用蒙特卡洛(Monte Carlo)方法进行仿真前设置的初始仿真值与实验结果的对照图;FIG. 4 is a comparison diagram of an initial simulation value set before simulation using a Monte Carlo method and an experimental result in an embodiment of the present invention;

图5为本发明实施例中的仿真结束后最终仿真结果与实验结果对比图;5 is a comparison diagram of the final simulation result and the experimental result after the simulation in the embodiment of the present invention;

图6为本发明实施例中的仿真结束后获取的仿真结果的厚度寻址数据与设置的初始值的对比表格示意图。FIG. 6 is a schematic diagram of a comparison table between thickness addressing data of a simulation result obtained after the simulation ends and a set initial value in an embodiment of the present invention.

具体实施方案specific implementation

下面结合实施例,对本发明作进一步地详细说明,但不用来限制本发明的范围。The present invention will be described in further detail below with reference to the examples, but it is not intended to limit the scope of the present invention.

对于多层光学膜,身边最常见一类多层光学膜的就是各类手机贴膜,实验室中也常见到各类不同的液晶盒,以及为太阳能光伏所制作的薄膜.一般情况下,这类材料都为多层膜结构。但是,若要得知多层膜结构的相关信息如厚度时,一般测厚仪只能测量膜整体的厚度,对于其中每一层膜的厚度是否均匀,若不均匀是哪一层出现问题则无能为力。因此在应用中,可以利用本发明对光学膜上多个点进行扫描时,比较各个扫描点的厚度可以有效比较各层镀膜厚度是否均匀以及每一层的厚度分布;比较各个点的折射率可以得到多层光学膜整体的光学性能是否一致并达到要求。同时,也可以利用该方法在厚度已知的情况下对未知的材料或一系列的混合物进行折射率及色散系数的预测,可以较快获得其光学性能指标。也可根据实际情况自行结合其他测量设备一起使用以获取更多想要预测的参数。For multi-layer optical films, the most common type of multi-layer optical films are various types of mobile phone stickers, and various types of liquid crystal cells and films made for solar photovoltaics are also common in laboratories. The materials are all multilayer film structures. However, if you want to know the relevant information of the multilayer film structure, such as the thickness, the general thickness gauge can only measure the thickness of the entire film, and whether the thickness of each layer of the film is uniform, if the non-uniformity is which layer has a problem, there is nothing you can do. . Therefore, in application, when using the present invention to scan multiple points on the optical film, comparing the thickness of each scanning point can effectively compare whether the thickness of each layer is uniform and the thickness distribution of each layer; comparing the refractive index of each point can be Whether the overall optical properties of the multilayer optical film are consistent and meet the requirements. At the same time, the method can also be used to predict the refractive index and dispersion coefficient of an unknown material or a series of mixtures under the condition of known thickness, and its optical performance index can be obtained quickly. It can also be used in conjunction with other measuring equipment according to the actual situation to obtain more parameters that you want to predict.

实施例:Example:

一种Berreman矩阵对多层光学膜性能的预测方法,如图1所示,包括以下步骤:A method for predicting the properties of multilayer optical films by Berreman matrix, as shown in Figure 1, includes the following steps:

S1、通过实验测得实验值即多层光学膜的透过率或吸收率数据,本实施方案所用的设备为Ocean Optics公司生产的USB 4000型光谱仪;S1. The experimental value, that is, the transmittance or absorptivity data of the multilayer optical film, is measured experimentally. The equipment used in this embodiment is a USB 4000 spectrometer produced by Ocean Optics;

本实施例中,多层光学膜为双层钠钙玻璃基板,如图2所示,每层玻璃基板分别涂敷银涂层与聚乙烯醇(poly(vinyl alcohol))涂层,中间为空气层,可灌入液晶,根据理论值各层的厚度范围分别为:银镀层10-20nm,PVA镀层15- 30nm,空气层2-5μm,玻璃基板厚度对计算影响小可忽略不计;各个材料的折射率,色散系数以及消光系数等参数均可通过查阅资料得到,因此进行拟合的主要目的是为了得知各个镀层的厚度。测量的波长范围为400nm至900nm范围内,目的是求出各层厚度值。实验测得的数据如图3所示,横轴为波长变化,纵轴为折射率变化,横轴为波长范围,纵轴为透过率范围。In this embodiment, the multilayer optical film is a double-layer soda-lime glass substrate. As shown in FIG. 2 , each layer of the glass substrate is coated with a silver coating and a poly(vinyl alcohol) coating respectively, with air in the middle. According to the theoretical value, the thickness range of each layer is: silver coating 10-20nm, PVA coating 15-30nm, air layer 2-5μm, the thickness of glass substrate has little influence on calculation and can be ignored; Parameters such as refractive index, dispersion coefficient and extinction coefficient can be obtained by consulting the data, so the main purpose of fitting is to know the thickness of each coating. The wavelength range of the measurement is in the range of 400 nm to 900 nm, and the purpose is to obtain the value of the thickness of each layer. The experimentally measured data are shown in Figure 3, the horizontal axis is the wavelength change, the vertical axis is the refractive index change, the horizontal axis is the wavelength range, and the vertical axis is the transmittance range.

S2、对于需要计算的参数选取初始值代入Berreman 4×4矩阵,获得基于初始值的仿真曲线,并求出初始仿真值与实验值之间的最小二乘法差值

Figure BDA0002925000670000081
S2. For the parameters to be calculated, select the initial value and substitute it into the Berreman 4×4 matrix to obtain the simulation curve based on the initial value, and obtain the least square difference between the initial simulation value and the experimental value.
Figure BDA0002925000670000081

所需要计算求取的参数包括:厚度、折射率、色散系数、消光系数、光的入射角度;对于需要计算的参数,若已知其理论值或取值范围,则依照已知参数设定一个取值范围与理论值进行计算;缺乏可参考的理论值时,则选取一个具有类似材料组成并可查阅到上述参数理论值的材料参数理论值作为初始值,在计算螺距时,因为使用材料均不具有螺旋,因此设置一个极大值方便计算即可;The parameters that need to be calculated include: thickness, refractive index, dispersion coefficient, extinction coefficient, incident angle of light; for the parameters to be calculated, if the theoretical value or value range is known, set a parameter according to the known parameters. The value range and theoretical value are calculated; when there is no theoretical value for reference, select a material parameter theoretical value with a similar material composition and the theoretical value of the above parameter can be consulted as the initial value. When calculating the pitch, because the materials used are all It does not have a spiral, so set a maximum value to facilitate calculation;

将初始值代入到Berreman 4×4矩阵中进行计算,并利用计算所得的Jones矩阵获得基于初始值的仿真值曲线即透过率或吸收率曲线,进而根据仿真值曲线得到初始仿真值;Substitute the initial value into the Berreman 4×4 matrix for calculation, and use the calculated Jones matrix to obtain a simulation value curve based on the initial value, that is, the transmittance or absorptivity curve, and then obtain the initial simulation value according to the simulation value curve;

本实施例中,通过蒙特卡洛方法进行拟合前仿真曲线与实验曲线的对比图如图4所示,黑色实线为实验测得曲线,黑色虚线为拟合前随机取值的仿真曲线;横轴为测量波长范围,纵轴为透过率;透过率曲线之间的偏差较大,说明初始数据距离真实值相差较远。In the present embodiment, the comparison diagram of the simulation curve and the experimental curve before fitting by the Monte Carlo method is shown in FIG. 4 , the black solid line is the experimentally measured curve, and the black dotted line is the simulation curve of random values before fitting; The horizontal axis is the measurement wavelength range, and the vertical axis is the transmittance; the deviation between the transmittance curves is large, indicating that the initial data is far from the true value.

采用最小二乘法计算初始仿真值与实验值之间的差值

Figure BDA0002925000670000082
具体如下:Calculate the difference between the initial simulated and experimental values using the least squares method
Figure BDA0002925000670000082
details as follows:

Figure BDA0002925000670000083
Figure BDA0002925000670000083

式中,n表示测量的实验值的数量,即测量的实验值和初始仿真值在各点波长一一对应的条件下计算

Figure BDA0002925000670000084
In the formula, n represents the number of measured experimental values, that is, the measured experimental values and the initial simulation values are calculated under the condition that the wavelengths of each point correspond one-to-one.
Figure BDA0002925000670000084

S3、对仿真曲线中的一个初始仿真值在其周围选取随机值代入Berreman 4×4 矩阵中,获取基于随机值的仿真曲线并求出随机仿真值与实验值之间的最小二乘法差值χ2S3. For an initial simulation value in the simulation curve, select a random value around it and substitute it into the Berreman 4×4 matrix to obtain a simulation curve based on random values and obtain the least-squares difference χ between the random simulation value and the experimental value 2 ;

以正态分布的方式对仿真值曲线中的一个参数在其周围选取随机值:以初始仿真值为原点获取一个随机数,生成的随机数的概率相对于初始仿真值的位置服从正态分布;将生成的随机值代入到Berreman 4×4矩阵中进行计算,并利用计算所得的琼斯(Jones)矩阵获得基于随机值的仿真值曲线即仿真透过率或吸收率曲线,进而得到蒙特卡洛法的随机仿真值,计算随机仿真值与实验值之间的最小二乘法差值χ2,具体如下:Select a random value around a parameter in the simulation value curve in the way of normal distribution: take the initial simulation value to obtain a random number at the origin, and the probability of the generated random number follows the normal distribution relative to the position of the initial simulation value; Substitute the generated random values into the Berreman 4×4 matrix for calculation, and use the calculated Jones matrix to obtain the simulated value curve based on random values, that is, the simulated transmittance or absorptivity curve, and then obtain the Monte Carlo method. The random simulation value of , calculates the least squares difference χ 2 between the random simulation value and the experimental value, as follows:

Figure BDA0002925000670000091
Figure BDA0002925000670000091

式中,n表示测量的实验值的数量,即测量的实验值和随机仿真值在各点波长一一对应的条件下计算χ2In the formula, n represents the number of measured experimental values, that is, χ 2 is calculated under the condition that the measured experimental values and random simulation values correspond to the wavelengths of each point one-to-one.

S4、比较χ2

Figure BDA0002925000670000092
的大小,若
Figure BDA0002925000670000093
则返回步骤S3中重新选取随机值,若
Figure BDA0002925000670000094
则跳至步骤S5;S4, compare χ 2 with
Figure BDA0002925000670000092
size, if
Figure BDA0002925000670000093
Then return to step S3 to re-select the random value, if
Figure BDA0002925000670000094
Then skip to step S5;

S5、判断χ2是否小于

Figure BDA0002925000670000095
的2.5%,若是,则跳至步骤S6,否则返回步骤S3 中,采用选取的随机值代替初始仿真值,采用χ2替换
Figure BDA0002925000670000096
并重新选取随机值进行计算;S5, determine whether χ 2 is less than
Figure BDA0002925000670000095
2.5% of , if yes, skip to step S6, otherwise return to step S3, use the selected random value to replace the initial simulation value, and use χ 2 to replace
Figure BDA0002925000670000096
And re-select random values for calculation;

S6、输出最终的初始仿真值作为已知参数,并重复步骤S3~步骤S5,直至仿真值曲线中的所有初始仿真值均得以计算,输出所求最优解以及对比图;S6, output the final initial simulation value as a known parameter, and repeat steps S3 to S5 until all the initial simulation values in the simulation value curve are calculated, and output the optimal solution and the comparison chart;

所述最优解包括所有模拟计算出的已知参数以及所有已知参数对应的χ2The optimal solution includes all known parameters calculated by simulation and χ 2 corresponding to all known parameters;

S7、重复步骤S3~步骤S6、对多次获取的最优解求平均值以保证准确性。S7. Repeat steps S3 to S6, and average the optimal solutions obtained for multiple times to ensure accuracy.

在初始条件相同的情况下多获取几组符合要求的初始仿真值结果,并对所有的初始仿真值求平均值,获得平均初始仿真值参数以及仿真值拟合曲线,输出该平均初始仿真值参数对应的仿真值拟合曲线以及平均初始仿真值和实验值的对比图。Under the same initial conditions, several sets of initial simulation value results that meet the requirements are obtained, and all initial simulation values are averaged to obtain the average initial simulation value parameters and the simulation value fitting curve, and output the average initial simulation value parameters. The corresponding simulation value fitting curve and the comparison chart of the average initial simulation value and the experimental value.

本实施例中,在使用蒙特卡洛方法进行仿真之后,仿真曲线与实验曲线得对比图如图5所示,黑色实线为实验测得曲线,黑色虚线为拟合前随机取值的仿真曲线;横轴为测量波长范围,纵轴为透过率;可见拟合之后两者曲线已较为接近,同时可以从附图6中得到仿真曲线的对应数据。可见拟合值与实验值之间利用最小二乘法计算的计算值与实验值之间的差值χ2由初始的173.4546降低到结束时的7.6818,仿真结果与测量结果曲线非常接近,拟合结束后的最小二乘法差值小于原来的0.5%。In this embodiment, after the Monte Carlo method is used for simulation, the comparison diagram between the simulation curve and the experimental curve is shown in Figure 5, the black solid line is the experimentally measured curve, and the black dotted line is the simulation curve with random values before fitting ; The horizontal axis is the measurement wavelength range, and the vertical axis is the transmittance; it can be seen that the two curves are relatively close after fitting, and the corresponding data of the simulation curve can be obtained from Figure 6 at the same time. It can be seen that the difference χ 2 between the calculated value calculated by the least squares method and the experimental value between the fitted value and the experimental value is reduced from the initial 173.4546 to 7.6818 at the end, the simulation result and the measurement result curve are very close, and the fitting is over The resulting least squares difference is less than 0.5% of the original.

同时,各层的模拟计算值也可从中获取,如图6所示:银镀层厚度为 17.4nm,PVA镀层厚度27.1nm,空气层厚度2.13μm。由对比图可见优化拟合后的曲线与实验曲线相似程度很高,一般情况下可以将计算的数据视作材料的实际厚度。At the same time, the simulated calculation values of each layer can also be obtained from it, as shown in Figure 6: the thickness of the silver coating is 17.4 nm, the thickness of the PVA coating is 27.1 nm, and the thickness of the air layer is 2.13 μm. From the comparison chart, it can be seen that the curve after optimization and fitting is very similar to the experimental curve. Generally, the calculated data can be regarded as the actual thickness of the material.

上述实施例为本发明较佳的实施方式,但本发明的实施方式并不受上述实施例的限制。对于本发明所属技术领域的技术人员来说,在不脱离本发明构思的前提下,还可以做出若干简单推演或者替换,都应当是为属于本发明的保护范围。The above embodiments are preferred embodiments of the present invention, but the embodiments of the present invention are not limited by the above embodiments. For those skilled in the art to which the present invention pertains, some simple deductions or substitutions can be made without departing from the concept of the present invention, which should all belong to the protection scope of the present invention.

Claims (8)

1.一种Berreman矩阵对多层光学膜性能的预测方法,其特征在于,包括以下步骤:1. a Berreman matrix to the prediction method of multilayer optical film performance, is characterized in that, comprises the following steps: S1、通过实验测得实验值,选择放置有多层光学膜时的样品光谱数据,以及未放置样品时的本底数据,进而通过将样品数据与本底数据相减得出实验值,实验值为多层光学膜的透过率或吸收率数据;S1. Measure the experimental value through experiments, select the spectral data of the sample when the multilayer optical film is placed, and the background data when the sample is not placed, and then obtain the experimental value by subtracting the sample data and the background data. is the transmittance or absorptivity data of the multilayer optical film; S2、对于需要计算的参数选取初始值代入Berreman 4×4矩阵,获得基于初始值的仿真曲线,并求出初始仿真值与对应的实验值之间的最小二乘法差值
Figure FDA0003692494660000017
S2. For the parameters to be calculated, select the initial value and substitute it into the Berreman 4×4 matrix to obtain the simulation curve based on the initial value, and obtain the least square difference between the initial simulation value and the corresponding experimental value.
Figure FDA0003692494660000017
S3、对仿真曲线中的一个初始仿真值在其周围选取随机值代入Berreman 4×4矩阵中,获取基于随机值的仿真曲线并求出随机仿真值与实验值之间的最小二乘法差值χ2S3. For an initial simulation value in the simulation curve, select a random value around it and substitute it into the Berreman 4×4 matrix, obtain a simulation curve based on the random value, and obtain the least-squares difference χ between the random simulation value and the experimental value 2 ; 以正态分布的方式对仿真值曲线中的一个参数在其周围选取随机值:以初始仿真值为原点获取一个随机数,生成的随机数的概率相对于初始仿真值的位置服从正态分布;将生成的随机值代入到Berreman 4×4矩阵中进行计算,并利用计算所得的琼斯(Jones)矩阵获得基于随机值的仿真值曲线,仿真值曲线为仿真透过率或吸收率曲线,进而得到蒙特卡洛法的随机仿真值,计算随机仿真值与实验值之间的最小二乘法差值χ2,具体如下:Select a random value around a parameter in the simulation value curve in the way of normal distribution: take the initial simulation value to obtain a random number at the origin, and the probability of the generated random number follows the normal distribution relative to the position of the initial simulation value; Substitute the generated random values into the Berreman 4×4 matrix for calculation, and use the calculated Jones matrix to obtain a simulation value curve based on random values. The simulation value curve is the simulation transmittance or absorption rate curve, and then obtain For the random simulation value of the Monte Carlo method, calculate the least squares difference χ 2 between the random simulation value and the experimental value, as follows:
Figure FDA0003692494660000011
Figure FDA0003692494660000011
式中,n表示测量的实验值的数量,测量的实验值和随机仿真值在各点波长一一对应的条件下计算χ2In the formula, n represents the number of measured experimental values, and χ 2 is calculated under the condition that the measured experimental values and random simulation values correspond to each point wavelength one-to-one; S4、比较χ2
Figure FDA0003692494660000012
的大小,若
Figure FDA0003692494660000013
则返回步骤S3中重新选取随机值,若
Figure FDA0003692494660000014
则跳至步骤S5;
S4, compare χ 2 with
Figure FDA0003692494660000012
size, if
Figure FDA0003692494660000013
Then return to step S3 to re-select the random value, if
Figure FDA0003692494660000014
Then skip to step S5;
S5、判断χ2是否小于
Figure FDA0003692494660000015
的2.5%,若是,则跳至步骤S6,否则返回步骤S3中,采用选取的随机值代替初始仿真值,采用χ2替换
Figure FDA0003692494660000016
并重新选取随机值进行计算,在选取新的随机值的时候缩减取值范围至原来的95.5%,95.5%为高斯分布的2σ大小;
S5, determine whether χ 2 is less than
Figure FDA0003692494660000015
2.5%, if yes, then jump to step S6, otherwise return to step S3, use the selected random value to replace the initial simulation value, and use χ 2 to replace
Figure FDA0003692494660000016
And re-select random values for calculation, when selecting new random values, reduce the value range to 95.5% of the original, and 95.5% is the 2σ size of the Gaussian distribution;
S6、输出最终的初始仿真值作为已知参数,并重复步骤S3~步骤S5,直至仿真值曲线中的所有初始仿真值均得以计算,输出所求最优解以及对比图;S6, output the final initial simulation value as a known parameter, and repeat steps S3 to S5 until all the initial simulation values in the simulation value curve are calculated, and output the optimal solution and the comparison chart; S7、重复步骤S3~步骤S6、对多次获取的最优解求平均值以保证准确性;S7, repeating steps S3 to S6, and averaging the optimal solutions obtained multiple times to ensure accuracy; 其中步骤S3~步骤S5中使用蒙特卡洛方法进行优化。The Monte Carlo method is used for optimization in steps S3 to S5.
2.根据权利要求1所述的一种Berreman矩阵对多层光学膜性能的预测方法,其特征在于,步骤S2中,所需要计算求取的参数包括:厚度、折射率、色散系数、消光系数、光的入射角度;对于需要计算求取的参数,若已知其理论值,则依照已知参数设定一个取值范围与理论值进行计算;缺乏可参考的理论值时,则选取一个具有类似材料组成并能查阅到上述需要计算求取的参数的理论值的材料参数理论值作为初始值;2. a kind of Berreman matrix according to claim 1 to the prediction method of multilayer optical film performance, it is characterized in that, in step S2, the parameter that needs to calculate and obtain comprises: thickness, refractive index, dispersion coefficient, extinction coefficient , the incident angle of light; for the parameters that need to be calculated, if the theoretical value is known, set a value range and theoretical value according to the known parameters for calculation; when there is no theoretical value that can be referenced, select a The theoretical value of the material parameter with similar material composition and the theoretical value of the above-mentioned parameters to be calculated can be consulted as the initial value; 将初始值代入到Berreman 4×4矩阵中进行计算,并利用计算所得的Jones矩阵获得基于初始值的仿真值曲线,仿真值曲线为透过率或吸收率曲线,进而根据仿真值曲线得到初始仿真值;Substitute the initial value into the Berreman 4×4 matrix for calculation, and use the calculated Jones matrix to obtain the simulation value curve based on the initial value, the simulation value curve is the transmittance or absorption rate curve, and then obtain the initial simulation value according to the simulation value curve. value; 采用最小二乘法计算初始仿真值与实验值之间的差值
Figure FDA0003692494660000021
具体如下:
Calculate the difference between the initial simulated and experimental values using the least squares method
Figure FDA0003692494660000021
details as follows:
Figure FDA0003692494660000022
Figure FDA0003692494660000022
式中,n表示测量的实验值的数量,测量的实验值和初始仿真值在各点波长一一对应的条件下计算
Figure FDA0003692494660000023
In the formula, n represents the number of measured experimental values, and the measured experimental values and initial simulation values are calculated under the condition that the wavelengths of each point correspond one-to-one.
Figure FDA0003692494660000023
3.根据权利要求2所述的一种Berreman矩阵对多层光学膜性能的预测方法,其特征在于,Berreman 4×4矩阵的主要形式为:3. a kind of Berreman matrix according to claim 2 to the prediction method of multilayer optical film performance, it is characterized in that, the main form of Berreman 4 * 4 matrix is:
Figure FDA0003692494660000024
Figure FDA0003692494660000024
式中,Kxx为斯涅尔定律的定义形式:In the formula, K xx is the defined form of Snell's law: Kxx=nisinθiK xx =n i sinθ i ; 其中,ni为入射平面的折射率,θi为入射平面上的入射角;εxx、εxy、εxz、εyx、εyy、εyz、εzx、εzy和εzz为在三维坐标系中在各个方向上的椭偏介电张量;where ni is the refractive index of the incident plane, θ i is the incident angle on the incident plane; ε xx , ε xy , ε xz , ε yx , ε yy , ε yz , ε zx , ε zy and ε zz are the three the ellipsometry dielectric tensor in all directions in the coordinate system; Berreman 4×4矩阵包括上述Berreman 4×4矩阵的主要形式的各种展开推导、共轭以及转换形式。Berreman 4x4 matrices include various expanded derivations, conjugates, and transformed forms of the principal forms of the Berreman 4x4 matrix described above.
4.根据权利要求3所述的一种Berreman矩阵对多层光学膜性能的预测方法,其特征在于,根据Berreman 4×4矩阵求出透过率或吸收率的算法表示如下:4. a kind of Berreman matrix according to claim 3 to the prediction method of multilayer optical film performance, it is characterized in that, according to Berreman 4 * 4 matrix, the algorithm that seeks transmittance or absorptivity is expressed as follows: 首先,利用折射率求出多层光学膜材料的椭偏介电张量ε:First, use the refractive index to find the ellipsometric dielectric tensor ε of the multilayer optical film material: 当材料为各向同性材料时,nx=ny=nzWhen the material is an isotropic material, n x = ny =n z ;
Figure FDA0003692494660000025
Figure FDA0003692494660000025
其中εx、εy、εz分别为椭偏介电张量在x,y,z方向上的分量,nx、ny、nz分别为折射率在x,y,z方向上的分量;where ε x , ε y , ε z are the components of the ellipsometry dielectric tensor in the x, y, z directions, respectively, and n x , ny , n z are the components of the refractive index in the x, y, z directions, respectively ; 对于任意角度放置的样品,通过坐标转换,能够将入射角转换为以欧拉角为表现形式的新矩阵:For samples placed at any angle, through coordinate transformation, the incident angle can be converted into a new matrix in the form of Euler angles:
Figure FDA0003692494660000031
Figure FDA0003692494660000031
其中φE、θE、ψE分别为入射角转化为欧拉角之后对应于原坐标在x,y,z方向偏转的角度;Among them, φ E , θ E , and ψ E are the angles corresponding to the deflection of the original coordinates in the x, y, and z directions after the incident angle is converted into Euler angles; 采用矩阵B将介电张量转化为椭圆偏振状态下的椭偏介电张量,转换公式如下:The matrix B is used to convert the dielectric tensor into the elliptical dielectric tensor in the elliptically polarized state. The conversion formula is as follows:
Figure FDA0003692494660000032
Figure FDA0003692494660000032
εxx、εxy、εxz、εyx、εyy、εyz、εzx、εzy和εzz为在三维坐标系中在各个方向上的椭偏介电张量,从而将获得的椭偏介电常量代回Berreman 4×4矩阵中,并求解Berreman 4×4矩阵对应的四个特征值,将其分别表示为:q1,q2,q3,q4ε xx , ε xy , ε xz , ε yx , ε yy , ε yz , ε zx , ε zy and ε zz are ellipsometry dielectric tensors in various directions in the three-dimensional coordinate system, so that the obtained ellipsometry Substitute the dielectric constant back into the Berreman 4×4 matrix, and solve the four eigenvalues corresponding to the Berreman 4×4 matrix, which are expressed as: q 1 , q 2 , q 3 , q 4 ; 对特征值进行变换能获得相应的琼斯(Jones)矩阵以及对应的琼斯(Jones)向量,对相应的琼斯(Jones)向量乘以其共轭之后,得到对应波长的仿真值的数值;将所有的波段对应点计算完毕之后,得到每一层对应仿真值的部分转移矩阵Tp(-d),将每层的Tp(-d)连乘,得到多层光学膜整体的对应仿真值在Berreman 4×4矩阵中对应的转移矩阵T。The corresponding Jones matrix and the corresponding Jones vector can be obtained by transforming the eigenvalues. After multiplying the corresponding Jones vector by its conjugate, the numerical value of the simulation value of the corresponding wavelength can be obtained; After the calculation of the corresponding point of the band, the partial transition matrix Tp(-d) corresponding to the simulation value of each layer is obtained, and the Tp(-d) of each layer is multiplied together to obtain the corresponding simulation value of the multilayer optical film as a whole in Berreman 4× 4 The corresponding transition matrix T in the matrix.
5.根据权利要求4所述的一种Berreman矩阵对多层光学膜性能的预测方法,其特征在于,部分转移矩阵与所求特征值之间的转换公式表示如下:5. a kind of Berreman matrix according to claim 4 is to the prediction method of multilayer optical film performance, it is characterized in that, the conversion formula between partial transfer matrix and sought eigenvalue is expressed as follows: Tp(-d)=β0I+β1ΔB2ΔB 23ΔB 3Tp(-d)=β 0 I+β 1 Δ B2 Δ B 23 Δ B 3 ; 其中,I为单位矩阵,q为对应的特征值q1,q2,q3,q4,具体如下:Among them, I is the identity matrix, and q is the corresponding eigenvalues q 1 , q 2 , q 3 , q 4 , as follows:
Figure FDA0003692494660000033
Figure FDA0003692494660000033
Figure FDA0003692494660000041
Figure FDA0003692494660000041
Figure FDA0003692494660000042
Figure FDA0003692494660000042
Figure FDA0003692494660000043
Figure FDA0003692494660000043
其中,j=1时,(k,l,m)=(2,3,4);j=2时,(k,l,m)=(1,3,4);j=3时,(k,l,m)=(1,2,4);j=4时,(k,l,m)=(1,2,3);Among them, when j=1, (k,l,m)=(2,3,4); when j=2, (k,l,m)=(1,3,4); when j=3, ( k,l,m)=(1,2,4); when j=4, (k,l,m)=(1,2,3); 其中,d为单层光学膜的厚度,光学膜包括各向同性或各向异性薄膜;C表示光速;ω为在某一波长下椭圆偏振光的角速度;Among them, d is the thickness of a single-layer optical film, and the optical film includes isotropic or anisotropic films; C represents the speed of light; ω is the angular velocity of elliptically polarized light at a certain wavelength; 转移矩阵T与琼斯(Jones)向量之间的关系表示为:The relationship between the transition matrix T and the Jones vector is expressed as:
Figure FDA0003692494660000044
Figure FDA0003692494660000044
Figure FDA0003692494660000045
Figure FDA0003692494660000045
Figure FDA0003692494660000046
Figure FDA0003692494660000046
Figure FDA0003692494660000047
Figure FDA0003692494660000047
Figure FDA0003692494660000048
Figure FDA0003692494660000048
T11、T12、T13、T14、T21、T22、T23、T24、T31、T32、T33、T34、T41、T42、T43、T44为转移矩阵T中的元素;rpp、rsp、rss、rps一起为构成琼斯矩阵的琼斯向量;T 11 , T 12 , T 13 , T 14 , T 21 , T 22 , T 23 , T 24 , T 31 , T 32 , T 33 , T 34 , T 41 , T 42 , T 43 , T 44 are transition matrices elements in T; r pp , rs sp , rs ss , rp s together are the Jones vectors that make up the Jones matrix; 琼斯(Jones)矩阵则表示为:The Jones matrix is expressed as:
Figure FDA0003692494660000049
Figure FDA0003692494660000049
由琼斯(Jones)矩阵以及琼斯(Jones)向量就能得出仿真值曲线。The simulation value curve can be obtained from the Jones matrix and the Jones vector.
6.根据权利要求1所述的一种Berreman矩阵对多层光学膜性能的预测方法,其特征在于,步骤S6中,所述最优解包括所有已知参数以及所有已知参数对应的χ2;所述对比图为最终输出的仿真值和初始值之间的对比图以及最终输出的仿真值和实验值的对比图;6. The method for predicting the performance of multilayer optical films by a Berreman matrix according to claim 1 , wherein in step S6, the optimal solution includes all known parameters and the corresponding χ of all known parameters. ; Described comparison diagram is the comparison diagram between the simulation value of final output and initial value and the comparison diagram of simulation value of final output and experimental value; 步骤S7中,在初始条件相同的情况下以同样方式多获取几组符合要求的初始仿真值结果,并对所得所有的初始仿真值各点求平均值,获得平均初始仿真值参数以及仿真值拟合曲线,输出该平均初始仿真值参数对应的仿真值拟合曲线以及平均初始仿真值和实验值的对比图。In step S7, under the same initial conditions, several sets of initial simulation value results that meet the requirements are obtained in the same way, and all the obtained initial simulation value points are averaged to obtain the average initial simulation value parameter and simulation value simulation value. The fitting curve of the simulation value corresponding to the average initial simulation value parameter and the comparison chart of the average initial simulation value and the experimental value are output. 7.根据权利要求1所述的一种Berreman矩阵对多层光学膜性能的预测方法,其特征在于,所述多层光学膜为多层可透光光学膜或由多个多层可透光光学膜堆叠形成;多层光学膜包括一种或多种可透光光学膜;所述可透光光学膜为在光学材料上涂敷光学涂层;7. The method for predicting the performance of a multi-layer optical film by a Berreman matrix according to claim 1, wherein the multi-layer optical film is a multi-layer transparent optical film or a multi-layer transparent optical film. The optical film is formed by stacking; the multilayer optical film includes one or more light-transmitting optical films; the light-transmitting optical film is an optical coating applied on an optical material; 光学材料包括玻璃、PMMA、石英以及萤石;光学涂层包括液晶、OLED光学材料、AMOLED光学材料。Optical materials include glass, PMMA, quartz and fluorite; optical coatings include liquid crystal, OLED optical materials, and AMOLED optical materials. 8.根据权利要求7所述的一种Berreman矩阵对多层光学膜性能的预测方法,其特征在于,若多层可透光光学膜中仍有空间或为上下对称且中空,则还能加入具有光学性能的物质,所述光学性能的物质包括液晶、OLED光学材料、AMOLED光学材料和机动球蛋白马达材料。8. a kind of Berreman matrix according to claim 7 to the method for predicting the performance of multilayer optical film, it is characterized in that, if there is still space in the multilayer light-transmitting optical film or is up-down symmetry and hollow, can also add Substances with optical properties include liquid crystals, OLED optical materials, AMOLED optical materials, and motor globulin motor materials.
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