Frequency-dependent local interactions and low-energy effective models from electronic structure calculations

被引:625
作者
Aryasetiawan, F
Imada, M
Georges, A
Kotliar, G
Biermann, S
Lichtenstein, AI
机构
[1] AIST, Res Inst Computat Sci, Ibaraki 3058568, Japan
[2] Univ Tokyo, Inst Solid State Phys, Kashiwa, Chiba 2778581, Japan
[3] Japan Sci & Technol Agcy, PRESTO, Kawaguchi, Japan
[4] Ecole Polytech, Ctr Phys Theor, F-91128 Palaiseau, France
[5] LPT ENS CNRS UMR 8549, F-75231 Paris 05, France
[6] Rutgers State Univ, Serin Phys Lab, Dept Phys & Astron, Piscataway, NJ 08854 USA
[7] Univ Nijmegen, NL-6525 ED Nijmegen, Netherlands
关键词
D O I
10.1103/PhysRevB.70.195104
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction U, are calculated from first principles, using the random-phase approximation. We derive an expression for the frequency-dependent U(omega) and show, for the case of nickel, that its high-frequency part has significant influence on the spectral functions. We propose a scheme for taking into account the energy dependence of U(omega), so that a model with an energy-independent local interaction can still be used for low-energy properties.
引用
收藏
页码:1 / 8
页数:8
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