Investigation of structural, electronic, magnetic, elastic and thermodynamic properties of Mn2Cr1−xVxSi (x = 0, 0.25, 0.5, 0.75 and 1) alloys
Yazarlar (4)
Prof. Dr. Ahmet İYİGÖR Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Osman ÖRNEK Kırşehir Ahi Evran Üniversitesi, Türkiye
A. Saydam Kırşehir Ahi Evran Üniversitesi, Türkiye
N. Arıkan
Osmaniye Korkut Ata University, Türkiye
Osmaniye Korkut Ata University, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Indian Journal of Physics (Q3) | ||
| Dergi ISSN | 0973-1458 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 04-2024 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | – |
| Cilt / Sayı / Sayfa | 98 / 4 / 1343–1353 | DOI | 10.1007/s12648-023-02917-3 |
| Makale Linki | http://dx.doi.org/10.1007/s12648-023-02917-3 | ||
| Özet |
| In this manuscript, the structural, electronic, magnetic, elastic and thermodynamic properties of Mn2Cr1−xVxSi (x = 0, 0.25, 0.5, 0.75 and 1) alloys are studied by employing the Quantum Espresso code in the framework of DFT simulations. We have used Perdew–Burke–Ernzerhof's (PBE) generalized gradient approach (GGA) for all the calculations. The optimized lattice constant, bulk modulus and elastic constants of these alloys are predicted and evaluated, and then, shear modulus, Young modulus, Poisson’s ratio, Vickers hardness, elastic anisotropy, Debye temperature and melting temperatures are obtained using elastic constants. The brittle/ductile nature and isotropic/anisotropic behaviors of the materials are investigated. By analyzing the B/G ratio, we conclude that all materials except Mn2VSi are ductile in nature. According to the results of the calculations on the electronic properties of the alloys, it is … |
| Anahtar Kelimeler |
| Density functional theory | Elastic properties | Mechanical properties |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 2 |
| Scopus | 2 |
| Web of Science | 2 |