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First - Principles studies of CaX (X = In, Tl) intermetalic compounds

Özayman M.; Öztekin Çiftçi, Yasemin; Çolakoǧlu, Kemal; Deligöz, Engin (2011)

Ab initio calculations based on the density functional theory within generalized-gradient (GGA) apraximation have been performed to carry out the structural, electronic, elastic, and thermodynamic properties of CaX (X=In, ...

The structural, elastic and vibrational properties of the DyX (X = P, As) compounds

Özışık, Hacı; Çiftçi Öztekin, Yasemin; Çolakoǧlu, Kemal; Deligöz, Engin (IOP Publishing, 2011)

A detailed theoretical study of the structural, elastic and vibrational properties of DyX (X = P, As) compounds is presented in this paper by performing ab initio calculations based on density functional theory using the ...