Electronic and transport properties of the Mn-doped topological insulator Bi.sub.2./sub.Te.sub.3./sub.: a first-principles study

0465535 - FZÚ 2017 RIV US eng J - Journal Article
Carva, K. - Kudrnovský, Josef - Máca, František - Drchal, Václav - Turek, I. - Baláž, P. - Tkáč, V. - Holý, V. - Sechovský, V. - Honolka, Jan
Electronic and transport properties of the Mn-doped topological insulator Bi₂Te₃: a first-principles study.
Physical Review B. Roč. 93, č. 21 (2016), s. 1-8, č. článku 214409. ISSN 2469-9950. E-ISSN 2469-9969
R&D Projects: GA ČR(CZ) GA14-30062S; GA AV ČR(CZ) Fellowship J. E. Purkyně
Grant - others:AV ČR(CZ) Fellowship J. E. Purkyně
Program: Fellowship J. E. Purkyně
Institutional support: RVO:68378271
Keywords : topological insulator * electronic structure * transport * Bi₂Te₃ * Mn dopant
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 3.836, year: 2016

We present a first-principles study of the electronic, magnetic, and transport properties of the topological insulator Bi2Te3 doped with Mn atoms in substitutional MnBi and interstitial positions Mni, which act as acceptors and donors, respectively. The effect of native BiTe- and TeBi-antisite defects and their influence on electronic transport properties is also investigated. We have studied (i) Bi2Te3 with and without native defects, (ii) MnBi defects with and without native defects, (iii) the same, but for Mni defects, and (iv) the combined presence of MnBi and Mni. The resistivity is strongly influenced by the amount of carriers, their type, and by the relative positions of the Mn-impurity energy levels and the Fermi energy. Our results suggest strategies to tune bulk resistivities and also clarify the location of Mn atoms in samples.

Permanent Link: http://hdl.handle.net/11104/0264064