Elastic and phonon properties of quaternary Heusler alloys CoFeCrZ (Z = Al, Si, Ga and Ge) from density functional theory
Yazarlar (2)
Prof. Dr. Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale |
| Dergi Adı | Philosophical Magazine Letters |
| Dergi ISSN | 0950-0839 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 11-2014 |
| Cilt No | 94 |
| Sayı | 11 |
| Sayfalar | 708 / 715 |
| DOI Numarası | 10.1080/09500839.2014.970239 |
| Makale Linki | http://www.tandfonline.com/doi/abs/10.1080/09500839.2014.970239 |
| Özet |
| The structural, elastic and phonon properties of the quaternary CoFeCrZ (Z=Al, Si, Ga and Ge) Heusler alloys have been investigated using the generalized gradient approximation method within density functional theory. The ground-state properties, including, lattice constant and bulk modulus are in good agreement with the available theoretical and experimental data. The elastic constants C-ij are computed using the stress-strain technique. The calculated results indicate that CoFeCrZ (Z=Al, Si, Ga and Ge) alloys are ductile materials. Debye temperatures are predicted from calculated elastic constants. The phonon dispersion relations of CoFeCrZ (Z=Al, Si, Ga and Ge) alloys are calculated for the first time using the density functional theory and the direct method with 2x2x2 supercell. |
| Anahtar Kelimeler |
| ab initio calculation | elastic constants | quaternary Heusler alloys | phonon properties | 63.20.Dj | 62.20.Dc | 71.15.Mb |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 31 |
| SCOPUS | 28 |
| Google Scholar | 36 |