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Density-Functional Theory Extensions for Iron Group Ferromagnets
並列摘要
For iron group ferromagnetic metals, the already existing s-d interaction energy is added- to the density-functional formulism. The previously solved eigenstates are used to calculate the kinetic and the exchange energies. The magnetic susceptibility in the paramagnetic region and the saturation magnetization in the ferromagnetic region are thus obtained.
並列關鍵字
無資料延伸閱讀
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