The investigation of structural, elastic, electronic, vibrational, thermo-physical, and optical properties of hexagonal-type X2N (X = Mn, Tc, and Re) compounds
Yazarlar (2)
Prof. Dr. Cihan KÜRKÇÜ Kırşehir Ahi Evran Üniversitesi, Türkiye
Çağatay Yamçıçıer Osmaniye Korkut Ata Üniversitesi, 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 | 06-2025 |
| Cilt / Sayı / Sayfa | 99 / 12 / 4565–4583 | DOI | 10.1007/s12648-025-03663-4 |
| Makale Linki | https://doi.org/10.1007/s12648-025-03663-4 | ||
| Özet |
| The structural, elastic, electronic, phonon, thermo-physical, and optical properties of hexagonal-type X2N (X = Mn, Tc, and Re) compounds were studied within the framework of density functional theory using the generalized gradient approximation (GGA). The obtained lattice parameter values were in good agreement with the literature. To investigate the mechanical stability of the studied compounds, the elastic constant values of the three compounds were calculated and from these values, some stiffness constant values such as Bulk (317.49 GPa, 339.29 GPa, and 401.57 GPa for Mn2N, Tc2N, and Re2N, respectively), Young’s (443.14 GPa, 438.11 GPa, and 542.84 GPa for Mn2N, Tc2N, and Re2N, respectively), Shear modulus (174.83 GPa, 170.50 GPa, and 212.93 GPa for Mn2N, Tc2N, and Re2N, respectively) values, and Poisson's ratio (0.27, 0.28, and 0.27 for Mn2N, Tc2N, and Re2N, respectively), were … |
| Anahtar Kelimeler |
| Elastic properties | Electronic properties | Optical properties | Phonon | Thermodynamic |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 2 |
| Scopus | 2 |