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Title: Ferromagnetism and topological surface states of manganese doped Bi{sub 2}Te{sub 3}: Insights from density-functional calculations

Based on first-principles calculations, the electronic, magnetic, and topological characters of manganese (Mn) doped topological insulator Bi{sub 2}Te{sub 3} were investigated. The Mn substitutionally doped Bi{sub 2}Te{sub 3}, where Mn atoms tend to be uniformly distributed, was shown to be p-type ferromagnetic, arising from hole-mediated Ruderman-Kittel-Kasuya-Yosida interaction. Mn doping leads to an intrinsic band splitting at Γ point, which is substantially different from that of nonmagnetic dopant. The topological surface state of Bi{sub 2}Te{sub 3} is indeed gapped by Mn doping; however, the bulk conductance limits the appearance of an insulating state. Moreover, the n-type doping behavior of Bi{sub 2}Te{sub 3} is derived from Mn entering into the van der Waals gap of Bi{sub 2}Te{sub 3}.
Authors:
 [1] ;  [2] ;  [3] ;  [4]
  1. National Center for Nanoscience and Technology, Beijing 100190 (China)
  2. Department of Materials Science and Nanoengineering, Rice University, Houston, Texas 77005 (United States)
  3. Key Laboratory of Thermal Management Engineering and Materials, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China)
  4. Department of Physics, Tsinghua University, Beijing 100084 (China)
Publication Date:
OSTI Identifier:
22253389
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 12; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BISMUTH TELLURIDES; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; FERROMAGNETISM; INTERACTIONS; MANGANESE; SURFACES; VAN DER WAALS FORCES