Negative thermal expansion properties in tetragonal NbPO5 from the first principles studies
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DOI: 10.1063/1.4977874
Abstract: By using the first-principles calculations based on density functional theory combined with quasi-harmonic approximation, we have studied the geometric structural, thermal properties, and the negative thermal expansion (NTE) properties of tetrahedral NbPO5. The variations of… read more here.
Keywords: negative thermal; expansion; expansion properties; tetrahedral nbpo5 ... See more keywords