Modelling study of liquid chalcogenide of Se20Te80 alloy depending on temperature

DALGIÇ S., YAVUZ S., ÇOLAKOĞULLARI M.

Journal of Optoelectronics and Advanced Materials, cilt.11, sa.12, ss.2069-2073, 2009 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 11 Sayı: 12
  • Basım Tarihi: 2009
  • Dergi Adı: Journal of Optoelectronics and Advanced Materials
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.2069-2073
  • Anahtar Kelimeler: Modelling, Reverse Monte Carlo, Selenium-Tellurium alloy, Temperature dependence
  • Trakya Üniversitesi Adresli: Evet

Özet

The structural properties of the liquid chalcogenide of Se 20Te80 alloy have been calculated using Reverse Monte Carlo(RMC) modelling technique at three thermodynamic states which are at 420°C, 530°C and 650°C. The quality of models has been improved using fitting procedure to neutron diffraction data. The atomic configurations and bond angle distributions of these systems have been calculated. The static structural functions of the liquid chalcogenide alloy belong to the resulting model where used plausible constraints have been compared with available experimental values. Finally, the obtained results correspond to related thermodynamic states show that the RMC modelling technique can be used to product three-dimensional atomic configurations.