| Yazarlar |
Selgin Al
Kırşehir Ahi Evran Üniversitesi, Türkiye |
|
Nihat Arıkan
Kırşehir Ahi Evran Üniversitesi, Türkiye |
|
Süleyman Demir
|
Doç. Dr. Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi, Türkiye |
| Özet |
| The electronic band structure, elastic and vibrational spectra of Rh2FeAl and Rh2YAl alloys were computed in detail by employing an ab-initio pseudopotential method and a linear-response technique based on the density-functional theory (DFT) scheme within a generalized gradient approximation (GGA). Computed lattice constants, bulk modulus and elastic constants were compared. Rh2YAl exhibited higher ability to resist volume change than Rh2FeAl. The elastic constants, shear modulus, Young modulus, Poisson's ratio, B/G ratio electronic band structure, total and partial density of states, and total magnetic moment of alloys were also presented. Rh2FeAl showed spin up and spin down states whereas Rh2YAl showed none due to being non-magnetic. The calculated total densities of states for both materials suggest that both alloys are metallic in nature. Full phonon spectra of Rh2FeAl and Rh(2)YA1 alloys in the L2(1) phase were collected using the ab-initio linear response method. The obtained phonon frequencies were in the positive region indicating that both alloys are dynamically stable. |
| Anahtar Kelimeler |
| First-principle, DFT, Electronic structure, Phonon, Elastic constant |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Physica B: Condensed Matter |
| Dergi ISSN | 0921-4526 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 02-2018 |
| Cilt No | 531 |
| Sayfalar | 16 / 20 |
| Doi Numarası | 10.1016/j.physb.2017.12.020 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0921452617310050 |
| Atıf Sayıları | |
| WoS | 21 |
| Google Scholar | 30 |
