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First-principles theory of vibrational effects on the phase stability of Cu-Au compounds and alloys

✍ Scribed by Ozoliņš, V.; Wolverton, C.; Zunger, Alex


Book ID
111945535
Publisher
The American Physical Society
Year
1998
Tongue
English
Weight
101 KB
Volume
58
Category
Article
ISSN
1098-0121

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The phase stability and bond character of mInSb•nInTe (m = 1, n = 2 or 3) phase-change materials have been investigated by means of ab initio calculations. The results show that In 3 SbTe 2 (IST312) is a metastable phase and is less stable than In 4 Sb 1 Te 3 (IST413). IST312 will decompose into InS