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Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.1c03843
Abstract: Narrow-gap semiconductors are very rare among intermetallic compounds. They appear only when two factors come together: strong hybridization of valence orbitals in the vicinity of the Fermi level and an appropriate number of valence electrons.…
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Keywords:
structure;
stability;
compounds within;
type ... See more keywords
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Published in 2018 at "Metals"
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…
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Keywords:
metallic compounds;
alloys metallic;
approaches metals;
metals alloys ... See more keywords