Publication Date:
2015-08-12
Description:
Author(s): Elizabeth Decolvenaere, Michael J. Gordon, and Anton Van der Ven We perform a critical assessment of the accuracy of density functional theory (DFT) based methods in predicting stable phases within the Co-Pt binary alloy. Statistical mechanical analysis applied to zero kelvin DFT predictions yields finite-temperature results that can be directly compared with exp… [Phys. Rev. B 92, 085119] Published Tue Aug 11, 2015
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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