First-Principles Approaches to Metals, Alloys, and Metallic Compounds
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DOI: 10.3390/met8090705
Abstract: At the beginning of the 21st century, electronic-structure theory has matured to a degree that allows for accurate phase prediction and computational characterization of various kinds of materials; in particular, elemental metals adopting whatever allotropic… read more here.
Keywords: metallic compounds; alloys metallic; approaches metals; metals alloys ... See more keywords