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Ab‐initio study of transition temperature of Mn‐doped GaN diluted magnetic semiconductor (Poster Presentation)
Author(s) -
Rufinus J.
Publication year - 2007
Publication title -
pamm
Language(s) - English
Resource type - Journals
ISSN - 1617-7061
DOI - 10.1002/pamm.200700985
Subject(s) - magnetic semiconductor , doping , condensed matter physics , ab initio , transition metal , semiconductor , materials science , density functional theory , cluster analysis , scattering , chemistry , physics , computational chemistry , optoelectronics , quantum mechanics , mathematics , biochemistry , organic chemistry , catalysis , statistics
Abstract We study the effect of clustering and random metal atoms distribution on the transition temperature of Mn‐doped GaN Diluted Magnetic Semiconductors. To calculate the exchange coefficients between the Mn atoms, a Density functional theory‐based Locally Self Consistent Multiple Scattering (LSMS) method has been used. Here we present the results of our calculations, which show that random metal distribution increases the calculated transition temperature of the material while the clustering decreases it. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)