| Yazarlar |
Doç. Dr. Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi, Türkiye |
| Özet |
| This study employs first principles method to run an investigation on structural, electronic, elastic, vibrational, thermodynamic and magnetic properties of RhMnX (X = Sb and Sn) half-Heusler compounds in C1(b) phase. The elastic constants (C-11, C-12 and C-44) for RhMnX (X = Sb and Sn) half-Heusler compounds in C1(b) phase are computed using the energy-strain method. Directional changes of Young and Shear modulus, Poisson's ratios and compressibility's of RhMnX (X = Sb and Sn) compounds have been analysed. Evaluations of mechanical stabilities via obtained elastic constants are exhibited stable natures for these compounds. Moreover, the compounds are ductile based on the Pugh's criteria. Electronic band structures and their partial density of states are presented for both compounds and used to interpret the electronic band profiles of these compounds in the C1(b) phase. Specifically, phonon dispersion curves of these compounds have been derived for the first time. Full phonon properties of these compounds suggest that both compounds are dynamically stable. Besides, the change in specific heat capacity and entropy of RhMnX (X = Sb and Sn) compounds have been also computed between 0-500 K. |
| Anahtar Kelimeler |
| first-principles theory | DFT | electronic structure | phonon | elastic constant |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | MATERIALS RESEARCH EXPRESS |
| Dergi ISSN | 2053-1591 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q3 |
| Makale Dili | İngilizce |
| Basım Tarihi | 11-2019 |
| Cilt No | 6 |
| Sayı | 11 |
| Sayfalar | 116110 / |
| Doi Numarası | 10.1088/2053-1591/ab476b |
| Makale Linki | https://iopscience.iop.org/article/10.1088/2053-1591/ab476b |
| Atıf Sayıları | |
| WoS | 3 |
| Google Scholar | 4 |
