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Insight into the Structural, Electronic, Elastic, Mechanical, and Thermodynamic Properties of XReO (X = Rb, Cs, Tl) Perovskite Oxides: A DFT Study.

In the present work, perovskite oxides XReO (X = Rb, Cs, Tl) have been reported using density functional theory (DFT) for structural, electronic, mechanical, elastic, and thermodynamic properties. Structural optimization has been carried out using local density approximation (LDA) and generalized gr...

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Publicado en:Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 74; no. 9; pp. 827 - 837
Autores principales: Zhao, Song, Wei, Zhongbin, Dar, Sajad Ahmad
Formato: Artículo
Publicado: De Gruyter Sep2019
Materias:
Poisson's ratio
Rubidium
Specific heat capacity
Bulk modulus
Elastic constants
Debye temperatures
Acceso en línea:Ver este registro en EBSCOhost