Theoretical research on structural, electronic, mechanical, lattice dynamical and thermodynamic properties of layered ternary nitrides Ti2AN (A = Si, Ge and Sn)
Yazarlar (4)
Prof. Dr. Abdullah CANDAN Kırşehir Ahi Evran Üniversitesi, Türkiye
S. Akbudak Adiyaman Üniversitesi, Türkiye
Uğur Gazi Üniversitesi, Türkiye
G. Uğur Gazi Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Alloys and Compounds (Q1) | ||
| Dergi ISSN | 0925-8388 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2019 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | 01-01-2019 |
| Cilt / Sayı / Sayfa | 771 / 1 / 664–673 | DOI | 10.1016/j.jallcom.2018.08.286 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0925838818331815 | ||
| Özet |
| First-principles density functional theory (DFT) calculations within generalized gradient approximation (GGA) are carried out to investigate the structural, electronic, mechanical, lattice dynamical and thermodynamic properties of Ti 2 AN (A= Si, Ge and Sn) MAX phases. The optimized geometrical parameters such as lattice constants (a, c) and the internal coordinates have been calculated. Electronic band structure and corresponding density of states (DOS) have been obtained. The analysis of the band structures and density of states have shown that these compounds are electrical conductors. The elastic constants have been ascertained using the stress-strain method. The isotropic elastic moduli, known as bulk modulus (B), shear modulus (G), young's modulus (E), poisson's ratio (ν), vickers hardness (H v) and linear compressibility coefficients (α) have been studied within framework of the Voigt–Reuss–Hill … |
| Anahtar Kelimeler |
| Electronic properties | Lattice dynamics | MAX phases | Mechanical properties | Nitrides | Thermodynamic properties |
Science Direct
Theoretical research on structural, electronic, mechanical, lattice dynamical and thermodynamic properties of layered ternary nitrides Ti2AN (A = Si, Ge and Sn)
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 63 |
| Scopus | 24 |