Browsing by Author "Çiftçi, Y.Ö."
Now showing items 1-5 of 5
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Ab‐Initio total energy calculations on the AlBi compound
Deligöz, Engin; Çolakoğlu, Kemal; Çiftçi, Y.Ö. (AIP Publishing, 2007)We present the results of the structural, thermodynamical, elastic, and electronic properties of the hypothetical aluminum bismuth (AlBi) compound (III‐V) in zinc‐blende phase by performing ab initio total energy calculations ... -
Electronic, elastic, thermodynamical, and dynamical properties of the rock-salt compounds LaAs and LaP
Deligöz, Engin; Çolakoğlu, Kemal; Özışık, Hacı; Çiftçi, Y.Ö. (IOP Publishing, 2007)We have studied the structural, elastic, electronic, thermodynamical and vibrational properties of LaAs and LaP in the rock-salt (B1) structure by performing ab initio calculations within the local-density approximation ... -
First-principles studies on structural and electronic properties of ThN
Arslan, S.; Çiftçi, Y.Ö.; Çolakoğlu, Kemal; Deligöz, Engin (AIP Publishing, 2007)We present an ab‐initio study of the structural and electronic properties of ThN. The plane‐wave pseudopotential approach to the density‐functional theory within the generalized‐gradient approximation implemented in ... -
The first‐principles calculations on the CuI compouns
Yüce, G.; Çolakoğlu, Kemal; Deligöz, Engin; Çiftçi, Y.Ö. (AIP Publishing, 2007)The ab initio total energy calculations, based on norm‐conserving pseudopotentials and density functional theory, have been performed to investigate some structual, elastic, electronic and lattice dynamical properties of ... -
Structural, elastic and electronic properties of AlN: A first principles study
Çiftçi, Y.Ö.; Çolakoğlu, Kemal; Deligöz, Engin (Wiley, 2007)The brief results of the first-principles ground-state total energy calculations for aliminium nitrat (AlN) in zincblende and rocksalt structures are presented. Structural, elastic, and electronic calculations are performed ...