| Yazarlar |
Nihat Arıkan
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Doç. Dr. Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Doç. Dr. Abdullah CANDAN
Kırşehir Ahi Evran Üniversitesi, Türkiye |
|
Şule Uğur
Gazi Üniversitesi, Türkiye |
|
Zoulikha Charifi
|
|
Hakim Baaziz
|
|
Gökay Uğur
Gazi Üniversitesi, Türkiye |
| Özet |
| First-principle calculations have been carried out on the structural, electronic, elastic, and phonon properties of the full-Heusler alloys X2YAl (X = Co, Fe and Y = Cr, Sc). The calculations predict that the Fe2CrAl and Co2CrAl are half-metallic ferromagnets at the equilibrium lattice constant with a minority-spin energy gap of 0.2912 and 0.668 eV, respectively. Fe2ScAl exhibit a gap in the majority density of states, with a few states at the Fermi level and about 0.217 states eV(-1), unlike the other Heusler compounds; due to this, it is considered a false half metal, and Co2ScAl is considered a non-magnetic compound. The elastic constants were derived from the slopes of the acoustic branches in the phonon-dispersion curve. The calculated lattice constants, bulk modulus, and first-order pressure derivative of the bulk modulus are reported for the L2(1) structure and compared with previous values. Phonon-dispersion curves were obtained using the first-principle linear-response approach of the density-functional perturbation theory. The specific heat capacity at a constant volume C (V) of X2YAl (X = Co, Fe and Y = Cr, Sc) alloys is calculated and discussed. |
| Anahtar Kelimeler |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Journal of Materials Science |
| Dergi ISSN | 0022-2461 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 02-2014 |
| Cilt No | 49 |
| Sayı | 12 |
| Sayfalar | 4180 / 4190 |
| Doi Numarası | 10.1007/s10853-014-8113-7 |
| Makale Linki | http://link.springer.com/10.1007/s10853-014-8113-7 |
| Atıf Sayıları | |
| WoS | 36 |
| Google Scholar | 46 |
