Surface core-level shifts on clean Si(001) and Ge(001) studied with photoelectron spectroscopy and density functional theory calculations

P. E. J. Eriksson; R. I. G. Uhrberg

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Surface core-level shifts on clean Si(001) and Ge(001) studied with photoelectron spectroscopy and density functional theory calculations

机译：用光电子能谱和密度泛函理论计算研究了清洁Si（001）和Ge（001）上的表面核能级移动

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The Si 2p and Ge 3d core levels are investigated on the c(4×2) reconstructed surfaces of Si(001) and Ge(001), respectively. Calculated surface core-level shifts are obtained both with and without final state effects included. Significant core-level shifts are found within the four outermost atomic layers. A combination of the theoretical results and high-resolution photoemission data facilitates a detailed assignment of the atomic origins of the various components identified in the core-level spectra of both Si(001) and Ge(001).

机译：在Si（001）和Ge（001）的c（4×2）重构表面上分别研究了Si 2p和Ge 3d核心能级。在包含和不包含最终状态影响的情况下，都可以获取计算出的表面核能级位移。在四个最外层的原子层中发现了明显的核能级移动。理论结果和高分辨率光发射数据的组合有助于对Si（001）和Ge（001）的核能级谱中确定的各种组分的原子起源进行详细分配。

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来源
《Physical review》 |2010年第12期|p.125443.1-125443.6|共6页
作者
P. E. J. Eriksson; R. I. G. Uhrberg;
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作者单位

Department of Physics, Chemistry and Biology, Linkoeping University, S-581 83 Linkoeping, Sweden;

rnDepartment of Physics, Chemistry and Biology, Linkoeping University, S-581 83 Linkoeping, Sweden;

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正文语种 eng
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关键词
clean metal, semiconductor, and insulator surfaces; surface states, band structure, electron density of states; methods of electronic structure calculations;

机译：清洁金属;半导体和绝缘体表面;表面态;能带结构;态电子密度;电子结构计算方法;

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机译：使用密度泛函理论的Si（001）表面重建的AB初始计算
5. Cleaning, Passivation, and Functionalization of SiGe (001) and (110) Surfaces for ALD Nucleation [D] . Park, Sang Wook. 2016

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6. Adsorption of SF6 decomposed gas on anatase (101) and (001) surfaces with oxygen defect: A density functional theory study [O] . Xiaoxing Zhang, Qinchuan Chen, Ju Tang, -1

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7. Surface core-level shifts on clean Si(001) and Ge(001) studied with photoelectron spectroscopy and DFT calculations [O] . Eriksson, Johan, Uhrberg, Roger 2010

机译：用光电子能谱和DFT计算研究了干净Si（001）和Ge（001）上的表面核能级移动

Surface core-level shifts on clean Si(001) and Ge(001) studied with photoelectron spectroscopy and density functional theory calculations

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