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对于纤锌矿结构ZnO/MgxZn1-xO有限深单量子阱结构,考虑内建电场、导带弯曲及材料掺杂对实际异质结势的影响,利用有限差分法和自洽法数值求解Schr?dinger方程和Poisson方程,获得电子(空穴)的本征能级和本征波函数.进而,采用费米黄金法则讨论带间光吸收的尺寸效应和三元混晶效应.结果表明:三元混晶材料MgxZn1-xO中Mg组分的增加会增强垒层和阱层的内建电场强度,使得电子(空穴)平均位置靠近左(右)垒,导致带间跃迁吸收峰呈指数减小且发生蓝移;ZnO/MgxZn1-xO量子阱带间跃迁吸收峰随阱宽增大而减小,吸收峰发生红移.所得结果可为改善异质结构材料和器件的光电性能提供理论指导,以期获得实际应用所需的光学吸收频谱和波长.
For the ZnO / MgxZn1-xO finite depth single quantum well structure with wurtzite structure, considering the influence of the built-in electric field, the conduction band bending and the material doping on the actual heterojunction potentials, finite difference method and self-consistent method are used to solve Schr? dinger equation and Poisson equation to obtain the eigenstates and eigenfrequencies of electrons (holes) .Furthermore, Fermion’s law of gold was used to discuss the size effect and ternary mixed crystal effect of interband absorption.The results show that ternary The increase of Mg component in the mixed material MgxZn1-xO enhances the built-in electric field strength of the barrier layer and the well layer, so that the electron (hole) average position is close to the left (right) barrier, resulting in an exponential decrease in the band- And the blue shift occurs.The absorption band of ZnO / MgxZn1-xO quantum well band gap decreases with the increase of the well width and the red shift of the absorption peak.The results can provide theoretical guidance for improving the photoelectric properties of the heterostructure materials and devices, In order to obtain the optical absorption spectrum and wavelength required for practical application.