Electronic and Magnetic Properties of Double Perovskite Ca2CrSbO6 |
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Authors: | ZHAO Yuan NI Guang-Xin LIU Hui-Ping YI Lin |
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Affiliation: | 1.School of Physics, Huazhong University of Science and Technology,;Wuhan 430074, China;2.Department of Biomedical Engineering, Xianning College, Xianning 437100, China |
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Abstract: | 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 2.99μB. The chromium contributes the mostin the total magnetic moments. The results indicate that Ca2CrSbO6 is half-metallic. |
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Keywords: | first-principles calculations electronic structure ferromagnetic properties |
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