Ab Initio Structure Solution of Icosahedral Cd-Yb Quasicrystals by a Density Modification Method
Ab Initio Structure Solution of Icosahedral Cd-Yb Quasicrystals by a Density Modification Method
复制标题
密度修正法从头算二十面体 Cd-Yb 准晶结构
DOI：
10.1080/00150190490462801
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发表时间：
2004
期刊：
影响因子：
0.8
通讯作者：
A. Tsai
中科院分区：
文献类型：
--
作者：
H. Takakura;A. Yamamoto;M. Boissieu;A. Tsai
用六维(6D)低密度消去法求解了二十面体Cd-Yb准晶。结果表明，I-Cd-Yb是由立方近似晶体中存在的相似原子团组成，但最内层的壳层高度无序。概述了I-Cd-Yb的六维团簇模型的构造。
The six-dimensional (6D) low density elimination method has been applied to solve an icosahedral Cd-Yb quasicrystal. It shows that i-Cd-Yb is composed of similar atomic clusters that exist in the cubic approximant crystals, but the inner most shell is highly disordered. A construction of the 6D cluster model of i-Cd-Yb is outlined.