Self-consistent calculations of quasiparticle states in metals and semiconductors

被引：118

作者：

Schone, WD ^{[1
]}

Eguiluz, AG

机构：

[1] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA

[2] Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 81卷 / 08期

关键词：

D O I：

10.1103/PhysRevLett.81.1662

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We solve the Dyson equation for the one-particle Green's function in a periodic solid self-consistently within the shielded-interaction (or GW) approximation. The effect of self-consistency (propagator renormalization) is found to be substantial. We illustrate this finding via calculations of quasiparticle states in K and Si. In the case of Si we show that the current standard of ab initio quasiparticle theory, thr: GW self-energy diagram, fails to account for the observed value of the absolute band gap-if properly, i.e., self-consistently, evaluated. [S0031-9007(98)06874-4].

引用

页码：1662 / 1665

页数：4

共 28 条

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