Modeling of the cubic and antiferrodistortive phases of SrTiO3with screened hybrid density functional theory
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Title
Modeling of the cubic and antiferrodistortive phases of SrTiO3with screened hybrid density functional theory
Authors
Keywords
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Journal
PHYSICAL REVIEW B
Volume 84, Issue 11, Pages -
Publisher
American Physical Society (APS)
Online
2011-09-21
DOI
10.1103/physrevb.84.115122
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- (2009) D. R. Hamann et al. PHYSICAL REVIEW B
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