Search

Now showing items 1-2 of 2

The first-principles stability study of PdC and CdC Compounds

Ateşer, Engin; Özışık, Havva Boğaz; Deligöz, Engin; Çolakoğlu, Kemal (World Scientific, 2013)

We have studied structural, mechanical and dynamical properties of PdC and CdC compounds to predict the most stable structure. We have focused on seven binary structure types as rock salt (RS), caesium chloride (CsCl), ...

First-principles calculations of vibrational and thermodynamical properties of rare-earth diborides

Özışık, Hacı; Çolakoğlu, Kemal; Deligöz, Engin; Ateşer, Engin (Elsevier, 2013)

We have tried to theoretically predict the lattice dynamical and thermodynamic properties of rare earth diborides (XB2, X = Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm) in AlB2-type structure based on density functional ...