| 插层化合物M_(x)TiS_2中M离子的三维有序结构 |
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| 引用本文： | 宋庆功,顾秉林. 插层化合物M_(x)TiS_2中M离子的三维有序结构[J]. 清华大学学报(自然科学版), 1993, 0(6) |
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| 作者姓名： | 宋庆功 顾秉林 |
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| 作者单位： | 唐山工程技术学院(宋庆功)，现代应用物理系(顾秉林) |
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| 摘 要： | 本文建立了１Ｔ型插层化合物ＭｘＴｉＳ２中占据八面体间隙位的Ｍ离子－空位晶格气体模型。用原子位形几率波理论系统地研究了三维晶体结构中Ｍ离子的基态原子位形，得到了１０种可能的完全有序结构。并对一些典型的实验结果做出了合理解释。
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| 关 键 词： | 原子位形 几率波 晶体结构 材料设计 有序态 |
The 3-D ordered structures of M-ions in intercalation compounds M_xTiS_2 |
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| Song Qinggong,Gu Binglin. The 3-D ordered structures of M-ions in intercalation compounds M_xTiS_2[J]. Journal of Tsinghua University(Science and Technology), 1993, 0(6) |
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| Authors: | Song Qinggong Gu Binglin |
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| Affiliation: | Department of Modern Applied Physics |
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| Abstract: | In this paper, an ion-vacancy lattice gas model is suggested for M-ions occupying octahedral sites in IT-type intercalation compounds MxTiS2. The atomic configuration of the ground state of M-ions in the 3-D crystal structure is studied systematically using the probability wave theory of the atomic configuration. Ten possible completely ordered structures are deduced. A reasonable explanation for some typical experimental results is presented. |
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| Keywords: | atomic configuration probability wave crystal structure material design ordered state |
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