钛自嵌入对TiSe电子结构的影响。
Effect of the Titanium Self-Intercalation on the Electronic Structure of TiSe.
作者信息
Shkvarin Alexey S, Merentsov Alexander I, Tsud Nataliya, Titov Alexander N
机构信息
M.N. Miheev Institute of Metal Physics, Ural Branch of Russian Academy of Sciences, 620137 Ekaterinburg, Russia.
Charles University, Faculty of Mathematics and Physics, Department of Surface and Plasma Science, Charles University, 18000 Prague, Czech Republic.
出版信息
Inorg Chem. 2021 Jan 4;60(1):185-194. doi: 10.1021/acs.inorgchem.0c02797. Epub 2020 Dec 15.
The effect of the superstoichiometric Ti intercalation on the electronic structure of TiSe was studied by using X-ray photoelectron spectroscopy in nonresonant and resonant modes along with the DOS (density of states) calculations. It was shown that the presence of the Ti atoms in the interlayer space leads to the formation of the Ti 3d/Ti 3d hybridized band between the Ti atoms in the regular lattice positions and Ti atoms in the interlayer space. The charge transfer to the conduction band was not observed in this case.
通过使用非共振和共振模式下的X射线光电子能谱以及态密度（DOS）计算，研究了超化学计量比的钛插层对TiSe电子结构的影响。结果表明，层间空间中Ti原子的存在导致在规则晶格位置的Ti原子与层间空间中的Ti原子之间形成Ti 3d/Ti 3d杂化带。在这种情况下未观察到电荷转移到导带。
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