Background
Type: Article

Three dimensional topological insulators of LuPdBixSb 1-x alloys

Journal: Journal of Alloys and Compounds (09258388)Year: 5 February 2013Volume: 549Issue: Pages: 51 - 56
DOI:10.1016/j.jallcom.2012.08.142Language: English

Abstract

The topological band structures of LuPdBixSb1- x (for x = 0, 0.125, 0.25, 0.375, 0.5, 0.625, 0.75, 0.875, 1) alloys have been investigated using density functional theory by Wien2k package. The generalized gradient approximation (GGA) and Engel-Vosko generalized gradient approximation (GGA-EV) have been used to obtain accurate the band inversion strength and band order. The calculated results show that LuPdBi xSb1-x alloys for x ≥ 0.25 in GGA and x ≥ 0.375 in GGA-EV are candidates for three dimensional topological insulator or topological metal. Furthermore the effect of hydrostatic pressure on band inversion strength and band order of these alloys has been investigated. © 2012 Elsevier B.V. All rights reserved.