Calculating the Berry curvature of Bloch electrons using the KKR method

被引：22

作者：

Gradhand, M. ^{[1
,5
]}

Fedorov, D. V. ^{[2
]}

Pientka, F. ^{[2
,3
,4
]}

Zahn, P. ^{[2
]}

Mertig, I. ^{[1
,2
]}

Gyoerffy, B. L. ^{[5
]}

机构：

[1] Max Planck Inst Mikrostrukturphys, D-06120 Halle, Germany

[2] Univ Halle Wittenberg, Inst Phys, D-06099 Halle, Germany

[3] Free Univ Berlin, Dahlem Ctr Complex Quantum Syst, D-14195 Berlin, Germany

[4] Free Univ Berlin, Fachbereich Phys, D-14195 Berlin, Germany

[5] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TH, Avon, England

来源：

PHYSICAL REVIEW B | 2011年 / 84卷 / 07期

关键词：

WAVE-PACKET DYNAMICS; PHASE; CRYSTALS;

D O I：

10.1103/PhysRevB.84.075113

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We propose and implement a particularly effective method for calculating the Berry curvature arising from adiabatic evolution of Bloch states in k space. The method exploits a unique feature of the Korringa-Kohn-Rostoker (KKR) approach to solve the Schrodinger or Dirac equations. Namely, it is based on the observation that in the KKR theory the wave vector k enters the calculation only via the structure constants which reflect the geometry of the lattice but not the crystal potential. For both the Abelian and non-Abelian Berry curvature we derive an analytic formula whose evaluation does not require any numerical differentiation with respect to k. We present explicit calculations for Al, Cu, Au, and Pt bulk crystals.

引用

页数：12

共 40 条

[1] QUANTAL PHASE-FACTORS ACCOMPANYING ADIABATIC CHANGES [J].