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Spin polarization in wurtzite Zn 1− x Cr x S from first principles
Author(s) -
Lakdja Abdelaziz,
Mesri Dalila,
Rozale Habib,
Chahed Abbes,
Ruterana Pierre
Publication year - 2012
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201248266
Subject(s) - wurtzite crystal structure , antiferromagnetism , ferromagnetism , condensed matter physics , spin polarization , materials science , exchange interaction , spin (aerodynamics) , electronic structure , physics , zinc , thermodynamics , electron , metallurgy , quantum mechanics
Abstract We report a first‐principles investigation of the electronic and magnetic properties of wurtzite Zn 1− x Cr x S alloy. Results on total energy calculations exhibit a ferromagnetic (FM) state at low Cr concentration of 25%, while for high concentration the compound has an antiferromagnetic ordering. We focused on the exchange interactions induced by the partially filled bands of the 3d Cr, which govern the magnetic properties in such material.