Spin-dependent plasma frequency from all-electron ab initio calculations including spin-orbit coupling

被引:0
|
作者
Pogodaeva, Maria K. [1 ]
Levchenko, Sergey, V [1 ]
Drachev, Vladimir P. [1 ]
机构
[1] Skolkovo Inst Sci & Technol, Bolshoy Blvd 30-1, Moscow 121205, Russia
关键词
TOTAL-ENERGY CALCULATIONS; OPTICAL-PROPERTIES; METALS; MODEL;
D O I
10.1103/PhysRevB.107.045113
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present a first-principles methodology to calculate spin-dependent plasma frequency. Electronic structure and plasma frequency of nine metals (Al, Au, Ag, Cu, Pd, Pt, Na, Fe, and Co) are studied using density-functional theory in an all-electron full-potential framework. The results are compared to pseudopotential approaches and experiments. We find a significant difference between the spin-up and spin-down contributions to plasma frequency. Thus, spin-polarization effects are important for understanding optical properties of metals. Spin-orbit coupling inclusion affects plasma frequency since it contains an interaction term between spin-up and spin-down electrons.
引用
收藏
页数:6
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