X-ray Structural Study of Layered Compounds Mn_xTiS_2(Condensed matter : structure and mechanical and thermal properties)
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概要
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An X-ray structural study of single crystals of Mn_xTiS_2 (x = 0.13, 0.18, and 0.26) was performed to investigate both the nature of the chemical bond from the electron density distribution (EDD) obtained by the maximum entropy method and local atomic arrangements of intercalated Mn atoms. Mn atoms were intercalated into octahedral sites in the van der Waals gap layer, and interlayer spacing and the distance between each layer were increased by increasing the number of Mn atoms without any change in layered structure. The EDD revealed that covalent bonding exists between Ti and S atoms, and no covalent electrons were found between Mn and S atoms. It is further realized by X-ray diffuse scattering measurements that intercalated Mn atoms are correlated with each other three-dimensionally. In Mn_<0.13>TiS_2 and Mn_<0.18>TiS_2, an in-plane ordered structure for the low-temperature phase is expected to be of the 2 x 2-type in a Wood notation. On the other hand, a √<3> x √<3>R30°-type ordered structure is expected to coexist with a 2 x 2-type ordered structure in Mn_<0.26>TiS_2.
- 社団法人日本物理学会の論文
- 2008-05-15
著者
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Ohshima Ken-ichi
Institute Of Materials Science University Of Tsukuba
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KAWASAKI Takuro
Institute of Materials Science, University of Tsukuba
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Ohshima Ken-ichi
Institute Of Applide Physics University Of Tsukuba
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Kawasaki Takuro
Institute Of Materials Science University Of Tsukuba
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