嵌入化合物 CuTiCh（Ch = S，Te）中的化学键。

Chemical bonds in intercalation compounds CuTiCh (Ch = S, Te).

机构信息

M. N. Miheev Institute of Metal Physics, Ural Branch of Russian Academy of Sciences, 620137 Ekaterinburg, Russia.

Faculty of Mathematics and Physics, Department of Surface and Plasma Science, Charles University, V Holešovičkách 2, 18000 Prague, Czech Republic.

出版信息

J Chem Phys. 2019 Dec 21;151(23):234701. doi: 10.1063/1.5128299.

DOI:10.1063/1.5128299

PMID:31864255

Abstract

A thorough study of the chemical bonding between intercalated copper and host lattice TiCh (Ch = S, Te) was performed. In order to separate the contributions of the copper, titanium, and chalcogen states into the electronic structure of the valence band, photoelectron spectroscopy in nonresonant and resonant (Cu 3p-3d and Ti 2p-3d) excitation modes was used. It is shown that the ionicity of the chemical bond between copper and host lattice is decreased in the TiS → TiSe → TiTe row. In CuTiS, copper atoms form the chemical bond with TiCh host lattice, while in CuTiTe directly with tellurium atoms.

摘要

对插层铜与宿主晶格 TiCh（Ch = S、Te）之间的化学成键进行了深入研究。为了将铜、钛和硫族元素状态的贡献分离到价带的电子结构中，使用了光电电子能谱在非共振和共振（Cu 3p-3d 和 Ti 2p-3d）激发模式下进行。结果表明，在 TiS→TiSe→TiTe 序列中，铜与宿主晶格之间的化学键的离子性降低。在 CuTiS 中，铜原子与 TiCh 宿主晶格形成化学键，而在 CuTiTe 中则与碲原子直接形成化学键。