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@ARTICLE{Fukushima:183560,
author = {Fukushima, T. and Shinya, H. and Fujii, H. and Sato, K. and
Katayama-Yoshida, H. and Dederichs, P. H.},
title = {{F}irst principles studies of {G}e{T}e based dilute
magnetic semiconductors},
journal = {Journal of physics / Condensed matter},
volume = {27},
number = {1},
issn = {1361-648X},
address = {Bristol},
publisher = {IOP Publ.},
reportid = {FZJ-2014-06854},
pages = {015501},
year = {2015},
abstract = {The electronic structure and magnetic properties of
GeTe-based dilute magnetic semiconductors (DMS) are
investigated by the Korringa–Kohn–Rostoker Green's
function method and the projector augmented wave method. Our
calculations for the formation energies of transition metal
impurities (TM) in GeTe indicate that the solubilities of TM
are quite high compared to typical III–V and II–VI based
DMS and that the TM doped GeTe has a possibility of room
temperature ferromagnetism with high impurity
concentrations. The high solubilities originate from the
fact that the top of the valence bands of GeTe consists of
the Te-5p anti-bonding states which are favorable to
acceptor doping. (Ge, Cr)Te system shows strong
ferromagnetic interaction by the double exchange mechanism
and is a good candidate for DMS with high Curie temperature.
Additionally, in the case of (Ge, Mn)Te with the d5
configuration, by introducing the Ge vacancies the p-d
exchange interaction is activated and it dominates the
antiferromagnetic superexchange, resulting in ferromagnetic
exchange interactions between Mn. This explains recent
experimental results reasonably. Based on the accurate
estimation of the Curie temperatures by Monte Carlo
simulation for the classical Heisenberg model with the
calculated exchange coupling constants, we discuss the
relevance of the TM doped GeTe for semiconductor
spintronics},
cin = {PGI-2},
ddc = {530},
cid = {I:(DE-Juel1)PGI-2-20110106},
pnm = {144 - Controlling Collective States (POF3-144)},
pid = {G:(DE-HGF)POF3-144},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000345462200014},
doi = {10.1088/0953-8984/27/1/015501},
url = {https://juser.fz-juelich.de/record/183560},
}