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首页> 外文期刊>Applied Surface Science >Cesium adsorption on In0.53Ga0.47As (100) beta(2) (2 x 4) surface: A first-principles research
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Cesium adsorption on In0.53Ga0.47As (100) beta(2) (2 x 4) surface: A first-principles research

机译：铯在In0.53Ga0.47As（100）beta（2）（2 x 4）表面上的吸附：一项第一性原理研究

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摘要

In0.53Ga0.47As is a perfect III-V compound semiconductor for the photoemissive layer of the infrared-extension negative electron affinity photocathode. It is the key step for the formation of negative electron affinity that the cesium atoms and oxygen atoms activate the photocathode surface alternately. Geometry optimizations based on the first principles have been carried out for the In0.53Ga0.47As (1 0 0) beta(2) (2 x 4) surfaces with a cesium atom adsorbed on 8 different possible sites named as D, D', T-2, T-2', T-3, T-3', T-4 and T-4'. The surfaces characteristics have been investigated before and after adsorption from the point of negative electron affinity formation. Meanwhile, the surface atom structure, the adsorption energy, work function, surface energy bands, charge transfer and the dipole generation of the 8 different adsorption surfaces have been compared to each other. The work function and the surface energy bands have been analyzed in detail, which are closely related with the photoelectrons escaping from the surface. The surface work functions are all decreased in varying degrees and energy band bends all appear at the 8 different adsorption sites due to the surface charge transfer and the dipole formation. In conclusion, T-2 and T-3 are the favorable adsorption sites relatively. The surfaces with a cesium atom adsorbed on these two sites are most stable and have much lower work functions, which generates reasonable energy band bend and is benefit for the electrons escape. The theoretical calculations and analysis will guide the design of the negative electron affinity In0.53Ga0.47As photocathode. (C) 2014 Elsevier B.V. All rights reserved.
机译：In0.53Ga0.47As是用于红外扩展负电子亲和力光电阴极的光发射层的理想III-V化合物半导体。铯原子和氧原子交替激活光电阴极表面是形成负电子亲和力的关键步骤。已针对In0.53Ga0.47As（1 0 0）beta（2）（2 x 4）表面的铯原子吸附在8个不同的可能位点（称为D，D'， T-2，T-2'，T-3，T-3'，T-4和T-4'。从负电子亲和力形成的角度研究了吸附前后的表面特性。同时，对8种不同吸附表面的表面原子结构，吸附能，功函，表面能带，电荷转移和偶极子生成进行了比较。详细分析了功函数和表面能带，它们与从表面逸出的光电子密切相关。由于表面电荷转移和偶极子形成，表面功函数均在不同程度上降低，并且能带弯曲都出现在8个不同的吸附位点。总之，T-2和T-3是相对有利的吸附位。在这两个位置上吸附有铯原子的表面最稳定且功函数低得多，这会产生合理的能带弯曲，并且有利于电子逸出。理论计算和分析将指导负电子亲和力In0.53Ga0.47As光电阴极的设计。 （C）2014 Elsevier B.V.保留所有权利。

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  • 来源
    《Applied Surface Science》 |2015年第1期|547-553|共7页
  • 作者

    Guo Jing; Chang Benkang; Jin Muchun; Wang Honggang; Wang MeiShan;

  • 作者单位

    Nanjing Univ Sci & Technol, Inst Elect Engn & Optoelect Technol, Nanjing 210094, Jiangsu, Peoples R China|Nanjing Inst Technol, Sch Automat, Nanjing 211167, Jiangsu, Peoples R China;

    Nanjing Univ Sci & Technol, Inst Elect Engn & Optoelect Technol, Nanjing 210094, Jiangsu, Peoples R China;

    Nanjing Univ Sci & Technol, Inst Elect Engn & Optoelect Technol, Nanjing 210094, Jiangsu, Peoples R China;

    Nanjing Univ Sci & Technol, Inst Elect Engn & Optoelect Technol, Nanjing 210094, Jiangsu, Peoples R China|Ludong Univ, Sch Phys, Yantai 264025, Peoples R China;

    Ludong Univ, Sch Phys, Yantai 264025, Peoples R China;

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  • 正文语种 eng
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  • 关键词

    In(0.53)Ga(0.47)AS (100) beta(2) (2 x 4) surface; Cesium adsorption; Work function; Negative electron affinity; Charge transfer;

    机译：在（0.53）Ga（0.47）AS（100）beta（2）（2 x 4）表面中;铯吸附;功函数;负电子亲和力;电荷转移;

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