First-principles studies of Ti n1 SiN n (n = 1, 2, 3) MAX phase
Yazarlar (5)
Gökhan Sürücü Middle East Technical University (Metu), Türkiye
Hasan Hüseyin Güllü
Atilim University, Türkiye
Atilim University, Türkiye
Prof. Dr. Abdullah CANDAN Kırşehir Ahi Evran Üniversitesi, Türkiye
Buğra Yıldız Hacettepe Üniversitesi, Türkiye
Aytaç Erkişi Pamukkale Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Philosophical Magazine | ||
| Dergi ISSN | 1478-6435 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2020 |
| Kabul Tarihi | 20-04-2020 | Yayınlanma Tarihi | 12-05-2020 |
| Cilt / Sayı / Sayfa | 100 / 17 / 2183–2204 | DOI | 10.1080/14786435.2020.1759835 |
| Makale Linki | https://hdl.handle.net/11511/51853 | ||
| Özet |
| In this study, the structural, electronic, mechanical, lattice dynamical and thermodynamic characteristics of ( 1, 2 and 3) phase compounds were investigated using the first principle calculations. These ternary nitride compounds were found to be stable and synthesisable, and the results on the stability nature of them were also evaluated for the possible and β phases. -was found to be the most stable one among these new class of layered phases for which limited works are available in the literature. The band structures, that are essential for the electronic properties, were determined along with the partial density of states (PDOS) indicating the metallic behaviour of these compounds. The polycrystalline elastic moduli were calculated based on the single-crystal elastic constants and the mechanical stabilities were verified. Some basic physical parameters, such as bulk modulus, shear … |
| Anahtar Kelimeler |
| electronic structures | first principles | mechanical properties | Nitride MAX phases |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 11 |
| Scopus | 3 |