| Yazarlar |
N. Arikan
|
|
M. Ersen
|
|
H. Y. Ocak
|
|
Doç. Dr. Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi |
Doç. Dr. Abdullah CANDAN
Kırşehir Ahi Evran Üniversitesi |
|
S. Ugur
|
|
G. Ugur
|
|
R. Khenata
|
|
D. Varshney
|
| Özet |
| In this paper, the structural, elastic and phonon properties of Ti3Al and Y3Al in L1(2)( Cu3Al) phase are studied by performing first- principles calculations within the generalized gradient approximation. The calculated lattice constants, static bulk moduli, first- order pressure derivative of bulk moduli and elastic constants for both compounds are reported. The phonon dispersion curves along several high- symmetry lines at the Brillouin zone, together with the corresponding phonon density of states, are determined using the first- principles linear- response approach of the density functional perturbation theory. Temperature variations of specific heat in the range of 0-500 K are obtained using the quasi- harmonic model. |
| Anahtar Kelimeler |
| Ab initio calculations, elastic constant, density functional theory, Ti3Al intermetallic compound. |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Modern Physics Letters B |
| Dergi ISSN | 0217-9849 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 12-2013 |
| Cilt No | 27 |
| Sayı | 30 |
| Sayfalar | 1350224 / 0 |
| Doi Numarası | 10.1142/S0217984913502242 |
| Makale Linki | http://www.worldscientific.com/doi/abs/10.1142/S0217984913502242 |
| Atıf Sayıları | |
| SCOPUS | 3 |
| Google Scholar | 10 |
