Structural Phase Transformation, Intermediate States and Electronic Properties of PbTe Under High Pressure
Künye
Öztürk, H., Arslan, G. G., Kürkçü, C., & Yamçıçıer, Ç. (2020). Structural phase transformation, intermediate states and electronic properties of PbTe under high pressure. Journal of Electronic Materials, 49(5), 3089-3095.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.
Kaynak
Journal Of Electronic MaterialsCilt
49Sayı
5Koleksiyonlar
- Scopus İndeksli Yayınlar Koleksiyonu [2488]
- WoS İndeksli Yayınlar Koleksiyonu [3138]
- Yayın Koleksiyonu [221]