On calculating the Berry curvature of Bloch electrons using the KKR method

Autor:	Gradhand, M., Fedorov, D. V., Pientka, F., Zahn, P., Mertig, I., Györffy, B. L.
Rok vydání:	2011
Předmět:	Condensed Matter - Mesoscale and Nanoscale Physics Condensed Matter - Materials Science
Zdroj:	Phys. Rev. B 84, 075113 (2010)
Druh dokumentu:	Working Paper
DOI:	10.1103/PhysRevB.84.075113
Popis:	We propose and implement a particularly effective method for calculating the Berry curvature arising from adiabatic evolution of Bloch states in wave vector k space. The method exploits a unique feature of the Korringa-Kohn-Rostoker (KKR) approach to solve the Schr\"odinger or Dirac equations. Namely, it is based on the observation that in the KKR method k enters the calculation via the structure constants which depend only on 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. Comment: 13 pages, 5 figures
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1104.3027 Zobrazit plný text záznamu View this record from Arxiv