First-principles insights into Cs/NF3 co-activation effects on near-infrared In0.53Ga0.47As (0 0 1) surface
First-principles insights into Cs/NF3 co-activation effects on near-infrared In0.53Ga0.47As (0 0 1) surface
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DOI：
10.1016/j.mssp.2022.106575
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发表时间：
2022
影响因子：
4.1
通讯作者：
Qianglong Fang;Yang Shen;Shuqin Zhang;Xiaodong Yang;Liang Chen;Shi-zhen Xu
中科院分区：
文献类型：
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作者：
Qianglong Fang;Yang Shen;Shuqin Zhang;Xiaodong Yang;Liang Chen;Shi-zhen Xu
对于InxGa_（1-x）As光电阴极，通常可以通过吸附Cs/O或Cs/NF_3来获得负电子亲和势特性。此外，Cs/O吸附体系的物理机制已被广泛研究，但Cs/NF 3吸附体系的物理机制目前尚不清楚。本文采用密度泛函理论（DFT）方法研究了Cs/NF 3共吸附对In0.53Ga0.47As（001）β2（2 × 4）表面的影响。结果表明，NF 3分子有利于提高Cs覆盖的In 0.53Ga 0.47As（001）β2（2 × 4）表面的稳定性。此外，新生成的偶极[Cs-NF 3]有利于抵抗过量Cs原子引起的去极化现象。因此，有利于表面功函数的单调下降，对增强光电设备的性能具有重要意义。Cs/NF 3共吸附改变了In0.53Ga0.47As（001）β2（2 × 4）表面的反射率和吸收系数，从而影响了光电发射体的光电转换效率。
For InxGa1-xAs photocathodes, the negative electron affinity characteristics can often be obtained by adsorbing Cs/O or Cs/NF3. Moreover, the physical mechanism of the Cs/O adsorbing system has been extensively investigated, but for the Cs/NF3adsorbing system, it is currently unclear yet. In this disquisition, the effect of Cs/NF3co-adsorption on the In0.53Ga0.47As (001) β2(2 × 4) surface was studied based on the density functional theory (DFT) calculation. The upshots manifest that NF3molecule is beneficial to enhance the stability of the Cs covered In0.53Ga0.47As (001) β2(2 × 4) surface. Besides, the newly generated dipole named [Cs–NF3] is beneficial to resist the depolarization phenomenon induced by excessive Cs adatoms. Therefore, it is conducive to the monotonically decreasing of surface work function, which is of great significance to enhance the performance of optoelectronic equipment. Also, the co-adsorption of Cs/NF3changes the reflectivity and absorption coefficient of In0.53Ga0.47As (001) β2(2 × 4) surface, which affects the photoelectric conversion efficiency of the photoemitter.