Half-Heusler topological insulators: A first-principles study with the Tran-Blaha modified Becke-Johnson density functional

Wanxiang Feng, Di Xiao, Ying Zhang, and Yugui Yao
Phys. Rev. B 82, 235121 – Published 15 December 2010

Abstract

We systematically investigate the topological band structures of half-Heusler compounds using first-principles calculations. The modified Becke-Johnson exchange potential together with local-density approximation for the correlation potential (MBJLDA) has been used here to obtain accurate band inversion strength and band order. Our results show that a large number of half-Heusler compounds are candidates for three-dimensional topological insulators. The difference between band structures obtained using the LDA and MBJLDA potential is also discussed.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Received 11 October 2010

DOI:https://doi.org/10.1103/PhysRevB.82.235121

©2010 The American Physical Society

Authors & Affiliations

Wanxiang Feng1, Di Xiao2, Ying Zhang3,4, and Yugui Yao1,4

  • 1Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
  • 2Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
  • 3Department of Physics, Beijing Normal University, Beijing 100875, China
  • 4Department of Physics, The University of Texas at Austin, Austin, Texas 78712, USA

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 82, Iss. 23 — 15 December 2010

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×