Structural, electronic, elastic, thermodynamic and phonon properties of LaX (X = Cd, Hg and Zn) compounds in the B2 phase
Yazarlar (2)
Prof. Dr. Osman ÖRNEK
Kırşehir Ahi Evran Üniversitesi, Türkiye
Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | International Journal of Modern Physics B (Q4) | ||
| Dergi ISSN | 0217-9792 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2016 |
| Cilt / Sayı / Sayfa | 30 / 24 / 1650169–0 | DOI | 10.1142/S0217979216501691 |
| Makale Linki | http://www.worldscientific.com/doi/abs/10.1142/S0217979216501691 | ||
| Özet |
| The ab initio computations have been performed to examine the structural, elastic, electronic and phonon properties of cubic LaX (X = Cd, Hg and Zn) compounds in the B2 phase. The optimized lattice constants, bulk modulus, and its pressure derivative and elastic constants are evaluated and compared with available data. Electronic band structures and total and partial densities of states (DOS) have been derived for LaX (X = Cd, Hg and Zn) compounds. The electronic band structures show metallic character; the conductivity is mostly governed by La-5d states for three compounds. Phonon-dispersion curves have been obtained using the first-principle linear-response approach of the density-functional perturbation theory. The specific heat capacity at a constant volume CV of LaX (X = Cd, Hg and Zn) compounds are calculated and discussed. |
| Anahtar Kelimeler |
| ab initio calculations | density of states | ductility | Elastic properties | phonon |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 2 |
| SCOPUS | 2 |
| Google Scholar | 5 |
| Google Scholar | 5 |