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Density functional study of the mechanical and phonon properties of Al12X (X = Mo, Tc, Ru, W, Re, and Os) compounds

Özışık, Hacı; Deligöz, Engin; Çolakoğlu, Kemal; Boğaz Özışık, Havva (Elsevıer Scı Ltd, 2014)

By means of first principles calculations, we have studied the structural, elastic, and phonon properties of the Al12X (X = Mo, Tc, Ru, W, Re, and Os) compounds in cubic structure. The elastic constants of these compounds ...

First principles prediction of structural stability, elastic, lattice dynamical and thermal properties of osmium carbides

Deligöz, Engin; Boğaz Özışık, Havva; Çolakoğlu, Kemal; Öztekin Çiftçi, Yasemin (Maney Publishing, 2014)

First principles calculations are performed to investigate the structural stability, elastic, lattice dynamical and thermal properties of osmium carbides with various crystal structures. Our calculation indicates that the ...