Theoretical calculations of the effect of nitrogen substitution on the structural, vibrational, and electronic properties of wolframite-type ScTaO4 at ambient conditions.
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DOI: 10.1039/d1dt04369b
Abstract: In this study, the effect of nitrogen substitution in wolframite-type ScTaO4 was investigated using density-functional theory calculations. First, structural and mechanical properties, as well as the dynamical stability of ScTaO4 were examined deeply for the… read more here.
Keywords: wolframite type; nitrogen substitution; nitrogen; type sctao4 ... See more keywords