| Yazarlar (3) |
Doç. Dr. Cihan KÜRKÇÜ
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Ziya Merdan
Gazi Üniversitesi, Türkiye |
Prof. Dr. Hülya ÖZTÜRK
Kırşehir Ahi Evran Üniversitesi, Türkiye |
| Özet |
| We have investigated the pressure induced phase transition and electronic properties of Yttrium (III) hydride (YH3) using density functional theory. YH3 crystallizes under normal conditions in two modifications: hexagonal YH3 (space group P63/mmc) and trigonal YH3 (space group P-3c1)[1-2]. We studied P-3c1 phase of YH3 under the hydrostatic pressure up to 200 GPa and obtained a phase transition from this phase to the hexagonal-type structure (space group P63/mcm). This phase transition is also studied by total energy and enthalpy calculations. According to these calculations, we obtained phase transition at about 18 GPa. Also we have calculated some physical properties of YH3 such as lattice parameters, volume and bulk moduli. |
| Anahtar Kelimeler |
| Bildiri Türü | Tebliğ/Bildiri |
| Bildiri Alt Türü | Tam Metin Olarak Yayınlanan Tebliğ (Uluslararası Kongre/Sempozyum) |
| Bildiri Niteliği | Alanında Hakemli Uluslararası Kongre/Sempozyum |
| Bildiri Dili | İngilizce |
| Kongre Adı | 2nd INTERNATIONAL CONGRESS ON THE WORLD OF TECHNOLOGY AND ADVANCED MATERIALS2nd INTERNATIONAL CONGRESS ON THE WORLD OF TECHNOLOGY AND ADVANCED MATERIALS |
| Kongre Tarihi | 28-09-2016 / 02-10-2016 |
| Basıldığı Ülke | Türkiye |
| Basıldığı Şehir | Kırşehir |
