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Comparison between ab‐initio and phenomenological modeling of the exchange couplings in diluted magnetic semiconductors: the case of Zn 1– x Cr x Te
Author(s) -
Bouzerar Georges,
Bouzerar Richard,
Kudrnovský Josef,
Ziman Timothy
Publication year - 2006
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.200567046
Subject(s) - ferromagnetism , impurity , magnetic semiconductor , condensed matter physics , hamiltonian (control theory) , ab initio , inductive coupling , ab initio quantum chemistry methods , exchange interaction , phenomenological model , rkky interaction , coupling (piping) , monte carlo method , chemistry , materials science , physics , quantum mechanics , mathematical optimization , statistics , mathematics , molecule , metallurgy
Using a recently developed semi‐analytical method (Self‐Consistent Local RPA or SC‐LRPA) we study the stability of the ferromagnetic phase in diluted magnetic systems where the exchange coupling between magnetic impurities are of RKKY form. A short discussion of the relevance of these calculations with respect to the ferromagnetism observed in diluted ferromagnetic materials is provided. Then, within a two step approach, we study ferromagnetism in Zn 1– x Cr x Te. In the first step of our study, we calculate the magnetic couplings between Mn impurities within the LDA. In the second step, we diagonalize the resulting effective Heisenberg Hamiltonian using the SC‐LRPA. We also compare, when available, our calculations with Monte Carlo simulations and experimental measurements. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)