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Ab initio study of spinodal decomposition in (Zn, Cr)Te
Author(s) -
Fukushima T.,
Sato K.,
KatayamaYoshida H.,
Dederichs P. H.
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.200669608
Subject(s) - spinodal decomposition , curie temperature , percolation (cognitive psychology) , decomposition , spinodal , ab initio , monte carlo method , condensed matter physics , thermodynamics , chemistry , curie , phase (matter) , ab initio quantum chemistry methods , statistical physics , materials science , ferromagnetism , physics , mathematics , statistics , organic chemistry , neuroscience , biology , molecule
The spinodal decomposition in (Zn, Cr)Te is simulated by using first principles calculations and Monte Carlo simulation. It is found that the chemical pair interaction between Cr atoms in (Zn, Cr)Te is attractive interaction and leads to spinodal decomposition. Curie temperatures in decomposed situation are estimated by the random phase approximation with taking the magnetic percolation effect into account. This decomposed phase makes the random pattern of high concentration regions which connect each other and have possibility to realize high Curie temperature. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)