Electronic And Magnetic Properties Of Double Perovskite Ca2crsbo6
理论物理通讯(英文版)(2010)
摘要
First-principles calculations have been performed for the study of the electronic band structure and ferromagnetic properties of double perovskite Ca2CrSbO6. The density of states, total energy, spin magnetic moment, and charge density were calculated and analyzed in details. It is found that Ca2CrSbO6 has a stable ferromagnetic ground state and the spin magnetic moment per molecule is about 2.99 mu(B). The chromium contributes the most in the total magnetic moments. The results indicate that Ca2CrSbO6 is half-metallic.
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关键词
first-principles calculations,electronic structure,ferromagnetic properties
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