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The magnetic behavior of Mn-doped beta-Ga2O3 is Studied from first-principles calculations within the generalized gradient approximation method. Calculations show that ferromagnetic ordering is always favorable for configurations in which two Mn ions substitute either tetrahedral or octahedral sites, and the ferromagnetic ground state is also sometimes favorable for configurations where one Mn ion substitutes a tetrahedral site and another Mn ion substitutes an octahedral site. However, the configurations of the latter case are less stable than those of the former. (c) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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SCRIPTA MATERIALIA
ISSN: 1359-6462
Year: 2008
Issue: 11
Volume: 58
Page: 943-946
2 . 8 8 7
JCR@2008
5 . 3 0 0
JCR@2023
ESI Discipline: MATERIALS SCIENCE;
JCR Journal Grade:1
Cited Count:
WoS CC Cited Count: 30
SCOPUS Cited Count: 32
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 1
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