Medium range order and the radial distribution function

被引:11
作者
Bodapati, A
Treacy, MMJ
Falk, M
Kieffer, J
Keblinski, P
机构
[1] Rensselaer Polytech Inst, Dept Mat Sci & Engn, Troy, NY 12180 USA
[2] Arizona State Univ, Dept Phys & Astron, Tempe, AZ 85284 USA
[3] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA
关键词
silicon; microcrystallinity; molecular dynamics; nanocrystals; medium range order;
D O I
10.1016/j.jnoncrysol.2005.11.028
中图分类号
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
We have studied the subtle differences between the radial distribution functions g(r) of several models of disordered silicon, which contain differing amounts of paracrystalline medium range order. Due to the inherent averaging of diffraction data at medium range length scales r, the differences are indeed small. We find, however, that the residual function G(r) = r[g(r) 1] exhibits all oscillatory decay, with discernibly different decay lengths. The decay lengths are found to be proportional to the radial extent of the medium range order in the model as determined by several other computational methods. Our results indicate that the extent of medium range order could be measured by diffraction experiments. However, to discern the nature of the ordering, fluctuation microscopy is needed, and for models, improved methods for modeling the oscillatory part of G(r) are essential. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码:116 / 122
页数:7
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