The structural properties of the liquid CdTe based on Reverse Monte Carlo modelling
Küçük Resim Yok
Tarih
2007
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The Reverse Monte Carlo (RMC) method only provides information on structure, not on dynamics, and so has restricted applicability. We have only attempted to describe the trends in structural terms. The static structure of liquid Cadmium Telluride is performed using RMC modelling technique fitting to neutron diffraction data. In order to retain its tetrahedral environment with the co-ordination number about four in its liquid state, we have used some plausible physical constraints. In this way, it is possible to derive static structure of liquid CdTe with analysing the experimental data. We have shown the results for the partial static structure factors S-ij(q) and the partial pair distribution functions g(ij)(r). We have also determined the distribution of the number of neighbors within the first co-ordination shell and calculated the bond angle distribution. A good agreement with the experiment is observed for the structural properties of liquid CdTe. (c) 2007 Elsevier B.V. All rights reserved.
Açıklama
10th International Conference on the Structure of Non-Crystalline Materials (NCM 10) -- SEP 18-22, 2006 -- Prague, CZECH REPUBLIC
Anahtar Kelimeler
Liquid Alloys And Liquid Metals, II-VI Semiconductors, Chalcogenides, Monte Carlo Simulations, Neutron-Diffraction, Disorder, Alloy, Cdse, Agbr, Sn, Si
Kaynak
Journal Of Non-Crystalline Solids
WoS Q Değeri
Q1
Scopus Q Değeri
Q2
Cilt
353
Sayı
18-21
