Effective three-band model for double perovskites

Article

关键词: FUNCTIONAL-INTEGRAL APPROACH;    ELECTRONIC-STRUCTURE;    HUBBARD-MODEL;    TRANSITION;    MAGNETORESISTANCE;    FE;    FERROMAGNETISM;    DERIVATION;   

DOI  :  10.1103/PhysRevB.66.104418

来源: SCIE

【 摘 要 】

We start from a six-band model describing the transition-metal t(2g) orbitals of half metallic double perovskite systems, such as Sr2FeMoO6, in which only one of the transition-metal ions (Fe) contains important intratomic repulsion U-Fe. By eliminating the Mo orbitals using a low-energy reduction similar to that used in the cuprates, we construct a Hamiltonian which contains only effective t(2g) Fe orbitals. This allows us to treat exactly U-Fe and most of the Fe-Mo hopping. As an application, we treat the effective Hamiltonian in the slave-boson mean-field approximation and calculate the position of the metal-insulator transition and other quantities as a function of pressure or on-site energy difference.

【 授权许可】

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