Regensburg 2016 – wissenschaftliches Programm
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HL: Fachverband Halbleiterphysik
HL 66: Topological Insulators (Joint session of DS, HL, O, and TT, organized by MA)
HL 66.2: Vortrag
Mittwoch, 9. März 2016, 15:15–15:30, H32
Magnetic Properties of Mn-doped Bi2Se3 and Bi2Te3: Ab Initio and Atomistic Simulations — •Pavel Baláž1, Karel Carva1, Róbert Tarasenko1, Vladimír Tkáč1, Jan Honolka2, and Josef Kudrnovský2 — 1DCMP, Charles University, Ke Karlovu 5, CZ-12116 Prague 2, Czech Republic — 2Institute of Physics, ASCR, Na Slovance 2, CZ-18221 Prague 8, Czech Republic
Ferromagnetic Curie temperature and other magnetic magnetic properties of bulk Mn-doped Bi2Se3 and Bi2Te3 3D topological insulators are systematically studied by means of atomistic Monte Carlo simulations. Exchange interactions between the Mn magnetic moments have been calculated using ab initio methods. Tight-binding linear muffin-tin orbital method has been employed, together with the coherent potential approximation to describe the high degree of disorder in the system. Spin-orbit interaction is included in the ground state calculation. In the studied materials Mn atoms might either replace a Bi atom (substitutional position) or fill an empty position in van Der Waals gap between the atomic layers (substitutional position). It has been shown that exchange interaction between Mn magnetic moments might lead to a ferromagnetic phase transition. The Curie temperature is shown to be significantly dependent on the concentration of Mn atoms in substitutional and interstitial positions. Theoretical results were compared to recent experimental studies [1].
[1] R. Tarasenko et al., to be published in Physica B: Phys. Cond. Mat., DOI: 10.1016/j.physb.2015.11.022