| Yazarlar |
Hülya ÖZTÜRK
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Gözde Gül Arslan
|
Cihan KÜRKÇÜ
Türkiye |
|
Çağatay Yamçıçıer
Türkiye |
| 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 Fm 3 ¯ m space group to another cubic CsCl-type structure (B2) belongs to Pm 3 ¯ m 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 P1¯,C2/m,R3¯mandCmmm. |
| Anahtar Kelimeler |
| electronic properties | high pressure | intermediate state | Lead telluride | phase transformation |
| 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 |
| Makale Dili | Türkçe |
| Basım Tarihi | 01-2020 |
| Cilt No | 49 |
| Sayı | 5 |
| Sayfalar | 3089 / 3095 |
| Doi Numarası | 10.1007/s11664-020-08023-y |
| Makale Linki | http://dx.doi.org/10.1007/s11664-020-08023-y |
| Atıf Sayıları | |
| SCOPUS | 7 |
| Google Scholar | 8 |
