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 - Článek v odborném periodiku
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
Grant CEP: GA ČR(CZ) GA14-30062S; GA AV ČR(CZ) Fellowship J. E. Purkyně
Grant ostatní: AV ČR(CZ) Fellowship J. E. Purkyně
Program: Fellowship J. E. Purkyně
Institucionální podpora: RVO:68378271
Klíčová slova: topological insulator * electronic structure * transport * Bi₂Te₃ * Mn dopant
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 3.836, rok: 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.

Trvalý link: http://hdl.handle.net/11104/0264064