Atomic structure determination, electronic structure calculations and interpretation of electron transport properties of various 1/1-1/1-1/1 approximants
Atomic structure determination, electronic structure calculations and interpretation of electron transport properties of various 1/1-1/1-1/1 approximants
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各种 1/1-1/1-1/1 近似的原子结构测定、电子结构计算和电子传输性质的解释
DOI：
10.1088/0953-8984/14/27/202
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发表时间：
2002
期刊：
影响因子：
--
通讯作者：
H. Sato
中科院分区：
文献类型：
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作者：
U. Mizutani;T. Takeuchi;H. Sato
在过去的十年中，人们广泛研究了各种1/1- 1/1- 1/1近似物的原子结构，以弥补与相应准晶的差距。利用理论和实验确定的原子结构，也积累了有关它们价带电子态的可靠信息。本文根据结构类型（P或F）和空间群（Im或Pm）将1/1- 1/1- 1/1近似物分为三类，并讨论了每一类1/1- 1/1- 1/1近似物的原子结构和电子结构特征。电阻率的行为，然后讨论的基础上，从而确定的原子和电子结构。
The atomic structure of various 1/1– 1/1– 1/1 approximants has been extensively studied in the last decade to bridge the gap to that of the corresponding quasicrystal. Reliable information about electronic states in their valence bands has also been accumulated by using the atomic structure determined theoretically and experimentally. In this article, we have classified 1/1– 1/1– 1/1 approximants into three groups in terms of the structure type (P or F) and space group (Im or P m) and discussed characteristic features of both atomic and electronic structures of 1/1– 1/1– 1/1 approximants in each group. The electrical resistivity behaviour is then discussed on the basis of the atomic and electronic structures thus determined.