Ferromagnetism and topological surface states of manganese doped Bi{sub 2}Te{sub 3}: Insights from density-functional calculations
Abstract
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:
-
- National Center for Nanoscience and Technology, Beijing 100190 (China)
- Department of Materials Science and Nanoengineering, Rice University, Houston, Texas 77005 (United States)
- Key Laboratory of Thermal Management Engineering and Materials, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China)
- Department of Physics, Tsinghua University, Beijing 100084 (China)
- Publication Date:
- OSTI Identifier:
- 22253389
- Resource Type:
- Journal Article
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Volume: 140; Journal Issue: 12; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
- 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
Citation Formats
Li, Yuanchang, Zou, Xiaolong, Li, Jia, and Zhou, Gang. Ferromagnetism and topological surface states of manganese doped Bi{sub 2}Te{sub 3}: Insights from density-functional calculations. United States: N. p., 2014.
Web. doi:10.1063/1.4869146.
Li, Yuanchang, Zou, Xiaolong, Li, Jia, & Zhou, Gang. Ferromagnetism and topological surface states of manganese doped Bi{sub 2}Te{sub 3}: Insights from density-functional calculations. United States. https://doi.org/10.1063/1.4869146
Li, Yuanchang, Zou, Xiaolong, Li, Jia, and Zhou, Gang. 2014.
"Ferromagnetism and topological surface states of manganese doped Bi{sub 2}Te{sub 3}: Insights from density-functional calculations". United States. https://doi.org/10.1063/1.4869146.
@article{osti_22253389,
title = {Ferromagnetism and topological surface states of manganese doped Bi{sub 2}Te{sub 3}: Insights from density-functional calculations},
author = {Li, Yuanchang and Zou, Xiaolong and Li, Jia and Zhou, Gang},
abstractNote = {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}.},
doi = {10.1063/1.4869146},
url = {https://www.osti.gov/biblio/22253389},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 12,
volume = 140,
place = {United States},
year = {Fri Mar 28 00:00:00 EDT 2014},
month = {Fri Mar 28 00:00:00 EDT 2014}
}