| Yazarlar |
Selgin Al
Kırşehir Ahi Evran Üniversitesi, Türkiye |
|
Nihat Arıkan
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Doç. Dr. Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi, Türkiye |
| Özet |
| First-principle calculations have been adopted in order to reveal and deeply understand the structural, electronic, elastic, thermodynamic, and vibrational properties of full-Heusler X2TiAl (X = Au, Ru, and Zr) alloys in the L2(1) phase. The fundamental physical properties such as bulk modulus, its pressure derivative, anisotropy factor, shear modulus, Poisson's ratio, Cauchy pressure, elastic constants, heat capacity, thermal expansion coefficient, and Young's modulus are obtained and compared with the literature. Debye temperature and Gruneisen parameter are also evaluated over the temperature range of 0-1500 K. Electronic band structures and their partial density of states and phonon dispersion curves are presented for all alloys and used to interpret the electronic and mechanical properties and stabilities of alloys in the L2(1) phase. |
| Anahtar Kelimeler |
| DFT, Elastic Constant, Electronic Structure, First Principle, Phonon |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Zeitschrift für Naturforschung A |
| Dergi ISSN | 1865-7109 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 09-2018 |
| Cilt No | 73 |
| Sayı | 9 |
| Sayfalar | 859 / 867 |
| Doi Numarası | 10.1515/zna-2018-0207 |
| Makale Linki | http://www.degruyter.com/view/j/zna.2018.73.issue-9/zna-2018-0207/zna-2018-0207.xml |
| Atıf Sayıları | |
| WoS | 26 |
| Google Scholar | 35 |
