Electronic structure and magnetism of Ge(Sn)TM.sub.x./sub.Te.sub.1-x./sub. (TM = V,Cr,Mn): a first principles study

0470823 - FZÚ 2017 RIV US eng J - Článek v odborném periodiku
Liu, Y. - Bose, S. K. - Kudrnovský, Josef
Electronic structure and magnetism of Ge(Sn)TM_xTe_1-x (TM = V,Cr,Mn): a first principles study.
AIP Advances. Roč. 6, č. 12 (2016), 1-12, č. článku 125005. E-ISSN 2158-3226
Grant CEP: GA ČR GA15-13436S
Institucionální podpora: RVO:68378271
Klíčová slova: SnTe and GeTe * doping with 3d metals * lattice structure * exchange integrals * Curie temperature * first-priciples study
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 1.568, rok: 2016

Electronic and magnetic properties of SnTe/GeTe doped with 3d-transition metals (V,Cr,Mn) were studied in zincblende (ZB) and rock-salt (RS) structures from first principles. VGe, VSn, MnGe, MnSn and MnTe, all in ZB structures, were found to be halfmetallic. We have also examined the effect of the Te-sublattice doping. We have found that simultaneous doping of both Ge(Sn)- and Te-sublattice with Mn atoms would leave the material predominantly antiferromagnetic. On the
other hand, a small amount of Mn-atoms in interstitial sites should enhance the FM tendencies of samples.
Trvalý link: http://hdl.handle.net/11104/0268373