Probing Compositional Order in Atomic Columns: STEM Simulations Beyond the Virtual Crystal Approxima...
Probing Compositional Order in Atomic Columns: STEM Simulations Beyond the Virtual Crystal Approximation
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United States: Oxford University Press
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English
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United States: Oxford University Press
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Taking advantage of recent advances in parallel computing, we studied compositional disorder along metal-oxygen atomic columns in a complex Mo,V-oxide bronze using multislice frozen-phonon calculations. Commonly, the virtual crystal approximation (VCA) is used to model compositional disorder at crystallographic sites in a unit cell for a number of...
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Probing Compositional Order in Atomic Columns: STEM Simulations Beyond the Virtual Crystal Approximation
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TN_cdi_proquest_miscellaneous_2327382483
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_2327382483
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ISSN
1431-9276
E-ISSN
1435-8115
DOI
10.1017/S1431927619015198
