An Investigation on the Local Structure of Silicon: Liquid to Undercooled Regime
Küçük Resim Yok
Tarih
2010
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Trans Tech Publications Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Undercooled Silicon, Modelling, Reverse Monte Carlo, Atomic Structure. Abstract. We present the modelled local structure for undercooled silicon beginning from its liquid state, similar to 1730K to similar to 1550K. The modelling procedure was achieved by using reverse Monte Carlo (RMC) modelling technique fitting to x-ray static structure factors. The calculated radial distribution functions satisfied experimental observes either liquid or undercooled region. To make a detailed analysis on the modelled local environment we have focused on the distributions both average numbers of atoms within first coordination shell and bond angles whereas the uniqueness of model is discussible. In order to construct model that is more close to nature, the minimum and maximum bond lengths and the average coordination number constraints could have been used. The predicted results using RMC technique show that there is a possible structural transition and it slightly transforms into covalent-like bounded open network structure from its metallic structure, while decreasing temperature.
Açıklama
3rd International Conference on Multi-Functional Materials and Structures -- SEP 14-18, 2010 -- Chonbuk Natl Univ, Jeollabuk do, Jeonju, SOUTH KOREA
Anahtar Kelimeler
Undercooled Silicon, Modelling, Reverse Monte Carlo, Atomic Structure, X-Ray-Diffraction, Molten Silicon, Molecular-Dynamics
Kaynak
Multi-Functional Materials And Structures Iii, Pts 1 And 2
WoS Q Değeri
N/A
Scopus Q Değeri
N/A
Cilt
123-125
