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首页> 外文期刊>International Journal of Quantum Chemistry >As-As dimerization, Fermi surfaces and the anomalous electrical transport properties of UAsSe and ThAsSe
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As-As dimerization, Fermi surfaces and the anomalous electrical transport properties of UAsSe and ThAsSe

机译：As-As二聚化，费米表面以及UAsSe和ThAsSe的异常电输运性质

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摘要

A temperature dependent electron diffraction study has been carried out on UAsSe to search for evidence of As-As dimerization at low temperature. A highly structured characteristic diffuse intensity distribution, closely related to that recently reported for ThAsSe, has been observed at low temperature and interpreted in terms of a gradual charge density wave type phase transition upon lowering of temperature involving disordered As-As dimerization within (001) planes. Plausible models of the proposed As As dimerization have been obtained using a group theoretical approach. Electronic band structure calculations of ThAsSe and UAsSe have been used to search for potential Fermi surface nesting wave-vectors. The results are in good agreement with the experimentally observed diffuse intensity distributions in both cases. (C) 2006 Elsevier Inc. All rights reserved.
机译：在UAsSe上进行了依赖温度的电子衍射研究，以寻找低温下As-As二聚化的证据。已在低温下观察到高度结构化的特征扩散强度分布，与最近报道的ThAsSe密切相关，并根据（001）中涉及无序As-As二聚化的温度降低后的逐渐电荷密度波型相变进行了解释飞机。拟议的As As二聚化的合理模型已使用一组理论方法获得。 ThAsSe和UAsSe的电子能带结构计算已用于搜索潜在的费米表面嵌套波向量。在两种情况下，结果与实验观察到的漫射强度分布非常吻合。 （C）2006 Elsevier Inc.保留所有权利。

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