Yazarlar |
Doç. Dr. Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Şule Uğur
Gazi Üniversitesi, Türkiye |
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 |
Makale Türü | Özgün Makale |
Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
Dergi Adı | PHILOSOPHICAL MAGAZINE LETTERS |
Dergi ISSN | 0950-0839 |
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 |