| Yazarlar |
Nihat Arıkan
University of Osmaniye Korkut Ata, Turkey |
Doç. Dr. Osman ÖRNEK
Kırşehir Ahi Evran Üniversitesi, Türkiye |
|
Ahmet İyigör
Kırşehir Ahi Evran Üniversitesi, Turkey |
Doç. Dr. Murat ÇANLI
Kırşehir Ahi Evran Üniversitesi, Türkiye |
| Özet |
| The structural, mechanical, electronic, thermodynamic, and phonon characteristics of Sc2CdAl and Sc2ZnAl in L21 phase were the main focuses on this investigation. The density of states (DOS) and electronic band spectra signify the metallic behavior of the L21 phase of both materials. The impact of atomic arrangement with respect to the Wyckoff sites on the mechanical stability were additionally studied. The elastic constants of Sc2CdAl and Sc2ZnAl alloys indicated that these alloys convened Born mechanical stability criteria. Using the density functional perturbation theory's first-principle linear response method, complete phonon spectra have been acquired. Moreover, the quasi-harmonic approximation, specific heat capacity at constant volume, the internal free energy, entropy, and vibrational free energy variations of Sc2CdAl and Sc2ZnAl as full Heusler alloys have been utilized in examination the change over the temperature between 0 and 800 K. Both alloys might find application in real industrial applications. |
| Anahtar Kelimeler |
| Ab initio | DFT | Elastic properties | Electronic band structure | Phonon | Thermodynamic properties |
| 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 Grubu | Q2 |
| Makale Dili | İngilizce |
| Basım Tarihi | 12-2024 |
| Cilt No | 695 |
| Sayı | 1 |
| Doi Numarası | 10.1016/j.physb.2024.416492 |
| Atıf Sayıları |
