Structural Phase Transformation, Intermediate States and Electronic Properties of PbTe Under High Pressure
Yazarlar (4)
Prof. Dr. Hülya ÖZTÜRK
Kırşehir Ahi Evran Üniversitesi, Türkiye
Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Cihan KÜRKÇÜ
Kırşehir Ahi Evran Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Electronic Materials (Q3) | ||
| Dergi ISSN | 0361-5235 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2020 |
| Cilt / Sayı / Sayfa | 49 / 5 / 3089–3095 | DOI | 10.1007/s11664-020-08023-y |
| Makale Linki | http://link.springer.com/10.1007/s11664-020-08023-y | ||
| 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 |
| electronic properties | high pressure | intermediate state | Lead telluride | phase transformation |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 8 |
| SCOPUS | 9 |
| Google Scholar | 9 |