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Theoretical studies of single magnetic impurities on the surface of semiconductors and topological insulators

Published online by Cambridge University Press:  07 October 2013

M. R. Mahani ,
A. Pertsova ,
C.M. Canali ,
M. F. Islam  and
A.H. MacDonald
M. R. Mahani
Affiliation:
Department of Physics and Electrical Engineering, Linnaeus University, Norra vägen 49, 391 82, Kalmar, Sweden.
A. Pertsova
Affiliation:
Department of Physics and Electrical Engineering, Linnaeus University, Norra vägen 49, 391 82, Kalmar, Sweden.
C.M. Canali
Affiliation:
Department of Physics and Electrical Engineering, Linnaeus University, Norra vägen 49, 391 82, Kalmar, Sweden.
M. F. Islam
Affiliation:
Department of Physics and Electrical Engineering, Linnaeus University, Norra vägen 49, 391 82, Kalmar, Sweden.
A.H. MacDonald
Affiliation:
Department of Physics, University of Texas at Austin, U.S.A.
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Abstract

We present results of theoretical studies of transition metal dopants in GaAs, based on microscopic tight-binding model and ab-initio calculations. We focus in particular on how the vicinity of surface affects the properties of the hole-acceptor state, its magnetic anisotropy and its magnetic coupling to the magnetic dopant. In agreement with STM experiments, Mn substitutional dopants on the (110) GaAs surface give rise to a deep acceptor state, whose wavefunction is localized around the Mn center. We discuss a refinement of the theory that introduces explicitly the d-levels for the TM dopant. The explicit inclusion of d-levels is particularly important for addressing recent STM experiments on substitutional Fe in GaAs. In the second part of the paper we discuss an analogous investigation of single dopants in Bi2Se3 three-dimensional topological insulators, focusing in particular on how substitutional impurities positioned on the surface affect the electronic structure in the gap. We present explicit results for BiSe antisite defects and compare with STM experiments.

Keywords

spintronicmagnetic propertiessemiconducting
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1564: Symposium GG – Single-Dopant Semiconductor Optoelectronics , 2013 , mrss13-1564-gg01-01
Copyright
Copyright © Materials Research Society 2013 

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References

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