| Yazarlar |
Prof. Dr. Hülya ÖZTÜRK
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Gözde Gül Arslan
|
Doç. Dr. Cihan KÜRKÇÜ
Ahi Evran Üniversitesi, Türkiye |
|
Çağatay Yamçıçıer
|
| Özet |
| In this work, density functional theory calculations in the framework of local density approximation (LDA) are performed using the Siesta software package in order to theoretically predict the phase transition mechanism and electronic properties of lead telluride (PbTe) under high hydrostatic pressure. PbTe undergoes a structural phase transformation from the cubic NaCl-type structure (B1) belongs to Fm3m space group to another cubic CsCl-type structure (B2) belongs to Pm3m space group with the influence of external pressure through the simulations. According to simulation results, we suggest a phase transition mechanism having four intermediate states with space groups of P 1; C2=m; R3m and Cmmm. |
| Anahtar Kelimeler |
| Lead telluride, high pressure, phase transformation, intermediate state, electronic properties |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Journal of Electronic Materials |
| Dergi ISSN | 0361-5235 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 02-2020 |
| Makale Linki | http://link.springer.com/10.1007/s11664-020-08023-y |
