CAJ | 학술논문

采用基于密度泛函理论的第一性原理平面波赝势法计算了InP/InGaAs转移电子光阴极吸收层材料的电学结构和光学性质,交换关联能采用杂化泛函HSE06来描述.首先对闪锌矿结构GaAs材料能带图进行计算验证,接着建立标准InGaAs材料体结构模型,并对模型进行了动力学的自洽优化,在优化后的基础上进行了非自洽的计算,得到标准InGaAs材料的复介电函数,然后根据Kramers-Kronig关系推出标准InGaAs材料光吸收系数.最后,结合转移电子光阴极量子效率模型,在给定P型标准InGaAs材料非平衡少子扩散长度分别是0.8、1.0、1.2、1.4、1.6和2.0 mm的条件下,得到对能量在0.780 260~0.820 273 eV区间内、间距为0.002 eV的不同光子能量优化的InP/InGaAs转移电子光阴极吸收层厚度.
채용기우밀도범함이론적제일성원리평면파안세법계산료InP/InGaAs전이전자광음겁흡수층재료적전학결구화광학성질,교환관련능채용잡화범함HSE06래묘술.수선대섬자광결구GaAs재료능대도진행계산험증,접착건립표준InGaAs재료체결구모형,병대모형진행료동역학적자흡우화,재우화후적기출상진행료비자흡적계산,득도표준InGaAs재료적복개전함수,연후근거Kramers-Kronig관계추출표준InGaAs재료광흡수계수.최후,결합전이전자광음겁양자효솔모형,재급정P형표준InGaAs재료비평형소자확산장도분별시0.8、1.0、1.2、1.4、1.6화2.0 mm적조건하,득도대능량재0.780 260~0.820 273 eV구간내、간거위0.002 eV적불동광자능량우화적InP/InGaAs전이전자광음겁흡수층후도.
The electonic structure and optical properties of standard InGaAs material, which formed the absorption layer of transferred-electron InP/InGaAs photocathode, were studied based on the density functional theory, the exchange and correlation potential energy was described by Heyd-Scuseria-Ernzerh (HSE06). First, the energy band structure of zinc blende GaAs was verified with this hybrid density functional, then the standard InGaAs bulk model was established, and dynamically optimized by self-consistent method before complex dielectric function was obtained, then the optical absorption coefficient was derivated from Kramers-Kronig relation. Finally, under the estimation of P-type standard InGaAs unequilibrium minority carriers effusion length were 0.8, 1.0, 1.2, 1.4, 1.6 and 2.0 m separately, combined with quantum efficiency formula of transferred-electron photocathode, the optimized absorption layer thickness of InP/InGaAs photocathode was derivated according to the photon energy between 0.780 260 eV and 0.820 273 eV with spacing 0.002 eV.