Abstract

The intercalation of metal is a promising method for the modulating electronic properties in transition metal dichalcogenides (TMDs). However, there still lacks enough knowledge about how the intercalated atoms directly impact the two-dimensional structural layers and modulate the band structures therein. Taking advantage of X-ray absorption fine structure and angle-resolved photoemission spectroscopy, we studied how Cu intercalation influences the host TaSe₂ layers in Cu_0.03TaSe₂ crystals. The intercalated Cu atoms form bonds with Se of the host layers, and there is charge transfer from Cu to Se. By examining the changes of band dispersions, we show that the variation of electronic structures is beyond a simple rigid band model with merely charge doping effect. This work reveals that the unusual change of band dispersions is associated with the formation of bonds between the intercalated metal elements and anion ions in the host layers, and provides a reference for the comprehensive understanding of the electronic structures in intercalated materials.

中文翻译：

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Cu嵌入2H-TaSe 2中引起的能带分散的非刚性位移

摘要

金属的嵌入是一种用于调节过渡金属二卤化金属（TMD）中电子性质的有前途的方法。然而，关于插层原子如何直接影响二维结构层并调节其中的能带结构，仍然缺乏足够的知识。利用X射线吸收精细结构和角度分辨光发射光谱，我们研究了Cu嵌入如何影响Cu _0.03 TaSe _2中的主体TaSe ₂层。晶体。插入的Cu原子与主体层的Se形成键，并且电荷从Cu转移到Se。通过检查能带色散的变化，我们发现电子结构的变化超出了仅具有电荷掺杂效应的简单刚性带模型。这项工作揭示了谱带色散的异常变化与主体层中插层金属元素和阴离子之间的键的形成有关，并为全面理解插层材料中的电子结构提供了参考。