ABSTRACT We present a brief overview of results obtained in our MD and ab initio investigation fo... more ABSTRACT We present a brief overview of results obtained in our MD and ab initio investigation focused on the problem of Pu aging. The investigation included modeling of the evolution of damage cascades in self-irradiated unalloyed and gallium-alloyed ä-Pu, the evaluation of helium atom interaction with Pu lattice, helium bubble properties, and mobility of defects, as well as possible effects of aging upon thermodynamic, mechanical, and magnetic properties of plutonium.
If electrons are reflected from a ferromagnet, the spin moves depending on the magnetization vect... more If electrons are reflected from a ferromagnet, the spin moves depending on the magnetization vector of the ferromagnetic surface. The spin motion, consisting of a precession around the magnetization direction and a rotation into it, is measured and explained in terms of the electronic band structure of the ferromagnet. If applications within a solid-state device are considered, sizeable transverse torques
... TM Rice AT&T Bell Laboratories, Murray Hill, New Jersey 07974 and Theoretische Ph... more ... TM Rice AT&T Bell Laboratories, Murray Hill, New Jersey 07974 and Theoretische Physik, Eidgenössische Technische Hochschule-Hönggerberg, 8093 Zürich, Switzerland ... led to propose that the crossover observed in zero field arises through proximity to this criti-cal point and ...
A full-potential version of a recently proposed generalization of the local-density method (LDA+U... more A full-potential version of a recently proposed generalization of the local-density method (LDA+U) is used to study the influence of impurities, lattice, and magnetic relaxation in La{sub 2-x}SrâCuOâ. The carriers form mean-field analogs of Zhang-Rice singlets, which are only slightly affected by impurity and in-plane lattice relaxation effects. On the other hand, an {open_quotes}anti-Jahn-Teller{close_quotes} polaron, characterized by a 0.26 â« shorter Cu to apicaloxygen bond length and triplet spin, is nearly stable. Although the impurity potentials are similar, the self-localization effects are much stronger in La{sub 2-x}SrâNiOâ.
ABSTRACT We present a brief overview of results obtained in our MD and ab initio investigation fo... more ABSTRACT We present a brief overview of results obtained in our MD and ab initio investigation focused on the problem of Pu aging. The investigation included modeling of the evolution of damage cascades in self-irradiated unalloyed and gallium-alloyed ä-Pu, the evaluation of helium atom interaction with Pu lattice, helium bubble properties, and mobility of defects, as well as possible effects of aging upon thermodynamic, mechanical, and magnetic properties of plutonium.
If electrons are reflected from a ferromagnet, the spin moves depending on the magnetization vect... more If electrons are reflected from a ferromagnet, the spin moves depending on the magnetization vector of the ferromagnetic surface. The spin motion, consisting of a precession around the magnetization direction and a rotation into it, is measured and explained in terms of the electronic band structure of the ferromagnet. If applications within a solid-state device are considered, sizeable transverse torques
... TM Rice AT&T Bell Laboratories, Murray Hill, New Jersey 07974 and Theoretische Ph... more ... TM Rice AT&T Bell Laboratories, Murray Hill, New Jersey 07974 and Theoretische Physik, Eidgenössische Technische Hochschule-Hönggerberg, 8093 Zürich, Switzerland ... led to propose that the crossover observed in zero field arises through proximity to this criti-cal point and ...
A full-potential version of a recently proposed generalization of the local-density method (LDA+U... more A full-potential version of a recently proposed generalization of the local-density method (LDA+U) is used to study the influence of impurities, lattice, and magnetic relaxation in La{sub 2-x}SrâCuOâ. The carriers form mean-field analogs of Zhang-Rice singlets, which are only slightly affected by impurity and in-plane lattice relaxation effects. On the other hand, an {open_quotes}anti-Jahn-Teller{close_quotes} polaron, characterized by a 0.26 â« shorter Cu to apicaloxygen bond length and triplet spin, is nearly stable. Although the impurity potentials are similar, the self-localization effects are much stronger in La{sub 2-x}SrâNiOâ.
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