Abstract:
Electric conductivity [1] and ferromagnetic Curie temperature 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.

[1] K. Carva, J. Kudrnovský, F. Máca, V. Drchal, I. Turek, P. Baláž, V. Tkáč, V. Holý, V. Sechovský, J. Honolka, Phys. Rev. B 93, 214409 (2016).

Chair: MK

Zapowiedzi kolejnych seminariów można znaleźć na stronie MTPR

Z poważaniem,
Michał Banaszak
Maciej Krawczyk
Adam Miranowicz