价(化学)
密度泛函理论
半金属
激发态
拓扑绝缘体
电子结构
光电发射光谱学
电子能带结构
价带
角分辨光电子能谱
X射线光电子能谱
原子物理学
材料科学
光谱学
凝聚态物理
带隙
分子物理学
物理
化学
计算化学
量子力学
核磁共振
作者
Cheng‐Tai Kuo,Shih‐Chieh Lin,Jean‐Pascal Rueff,Zhesheng Chen,Irene Aguilera,Gustav Bihlmayer,Łukasz Pluciński,I. L. Graff,G. Conti,Ivan A. Vartanyants,Claus M. Schneider,C. S. Fadley
标识
DOI:10.3204/pubdb-2021-05161
摘要
In this work, we studied the bulk band structure of a topological insulator (TI) Bi2Se3 and determined the contributions of the Bi and Se orbital states to the valence bands using standing wave-excited hard x-ray photoemission spectroscopy (SW-HAXPES). This SW technique can provide the element-resolved information and extract individual Bi and Se contributions to the Bi2Se3 valence band. Comparisons with density functional theory (DFT) calculations (LDA and GW) reveal that the Bi 6s, Bi 6p, and Se 4p states are dominant in the Bi2Se3 HAXPES valence band. These findings pave a way for studying the element-resolved band structure and orbital contributions of this class of TIs.
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