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- W2000355679 abstract "A detailed theoretical study of structural, electronic and Vibrational properties of BeX compound is presented by performing ab-initio calculations based on density-functional theory using the Espresso package. The calculated value of lattice constant and bulk modulus are compared with the available experimental and other theoretical data and agree reasonably well. BeX (X = S,Se,Te) compounds in the ZB phase are indirect wide band gap semiconductors with an ionic contribution. The phonon dispersion curves are represented which shows that these compounds are dynamically stable in ZB phase." @default.
- W2000355679 created "2016-06-24" @default.
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- W2000355679 date "2014-01-01" @default.
- W2000355679 modified "2023-10-12" @default.
- W2000355679 title "First principles electronic band structure and phonon dispersion curves for zinc blend beryllium chalcogenide" @default.
- W2000355679 doi "https://doi.org/10.1063/1.4872868" @default.
- W2000355679 hasPublicationYear "2014" @default.
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