High-density amorphous phase of GeS2 glass under pressure
PHYSICAL REVIEW B, cilt.79, sa.20, 2009 (SCI-Expanded)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 79 Sayı: 20
- Basım Tarihi: 2009
- Doi Numarası: 10.1103/physrevb.79.205202
- Dergi Adı: PHYSICAL REVIEW B
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Abdullah Gül Üniversitesi Adresli: Hayır
Özet
The pressure-induced phase transition in amorphous germanium disulfide (a-GeS2) is studied using an ab initio constant-pressure technique. With the application of hydrostatic pressure, a-GeS2 undergoes a gradual phase transition from a semiconducting low-density amorphous state to a metallic high-density amorphous state. The transition is associated with a local coordination change in both the Ge atoms and S atoms. Upon pressure release, the high-density phase transforms back to a low-density amorphous state. The physical origin of the gradual phase transformation is discussed. The pressure-induced changes in the electronic and vibrational properties are studied with details. Additionally the pressure-induced phase transition of the monoclinic GeS2 is compared with that of amorphous state.