First principles investigation on anomalous lattice shrinkage of W alloyed rock salt GeTe
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DOI: 10.1016/j.jpcs.2019.109220
Abstract: Abstract According to Vegard's law, larger radius atoms substitute for smaller atoms in a solid solution would enlarge the lattice parameters. However, by first-principles calculations, we have observed unusual lattice shrinkage when W replaces Ge… read more here.
Keywords: salt gete; rock salt; lattice shrinkage; first principles ... See more keywords