Ab initio study of the structural, elast
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Ilyes Hamdi; Noureddine Meskini
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Article
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2010
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Elsevier Science
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English
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A first principles quantum mechanical approach is used to investigate the structural, elastic, vibrational and thermodynamic properties of the hexagonal boron nitride (h-BN) in the framework of the pseudopotential plane wave density-functional perturbation theory for the two popular exchangecorrelat