As–As dimerization, Fermi surfaces and the anomalous electrical transport properties of UAsSe and ThAsSe

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.

Graphical abstractA typical 〈001〉 zone axis EDP of UAsSe taken at ∼80–90 K. In addition to the strong Bragg reflections of the underlying P4/nmm average structure, note the presence of a highly structured characteristic diffuse intensity distribution arising from disordered As–As dimerization.Figure optionsDownload full-size imageDownload as PowerPoint slide