First-principles study of the rocksalt–cesium chloride relative phase stability in alkali halides

By M. Flórez, J. Recio, E. Francisco, M. Blanco, Á. Pendás. 2002

467 citations recorded by the source corpus.

Subfields: Electronic, Optical and Magnetic Materials, Geophysics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/e26bf9a485274258107511732826c22cd520edd0

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In Materials Chemistry

1. Y. Al-Douri

Citations in the corpus

• Structural, electronic, optical and thermodynamic investigations of NaXF 3 (X = Ca and Sr): First-principles calculations (2018, background): “where E(V) represents total energy values with respect to unit cell volume, PV is to signify the constant hydrostatic pressure condition and Avib stands for the "vibrational Helmholtz free energy" and expressed as [31,32];”