Cu掺杂GaN/ZnO异质结的光学性质
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(1.齐鲁理工学院,山东 济南 250200; 2.天津理工大学 功能晶体研究 院,天津 300384)

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董明慧(1984-),男,山东济宁人,硕士研究 生,齐鲁理工学院教师,讲师,主要从事半导体发光材料的研究.

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国家自然科学基金(51802102)和齐鲁理工学院高校科技计划项目(QL19K033)资助项目 (1.齐鲁理工学院,山东 济南 250200; 2.天津理工大学 功能晶体研究 院,天津 300384)


Optical properties of Cu doped ZnO/GaN heterostructure
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(1.Qilu Institute of Technology,Jinan 250200,China; 2.Institute of Function al Crystal Materials,Tianjin University of Technology,Tianjin 300384,China)

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    摘要:

    ZnO/GaN异质结由于错配度小,化学稳定性好, 具有优良的光学、压电和热电效应等 优点,是下一代电子器件的理想材料。但是ZnO/GaN异质结的带隙宽度较宽制约了ZnO/GaN的 应用。为了减小ZnO/GaN异质结的带隙宽度,提高对可见光的吸收,采用第一性原理研究了C u掺杂对ZnO/GaN异质结稳定性、带隙和光学性质的影响。研究结果表明:Cu掺杂ZnO/GaN异 质结的结合能是负值,因此结构稳定,但是Cu位于界面处的结合能要比基体内的小,因此更 容易在界面处形成。Cu置换Ga能够明显的减小带隙的宽度,且在带隙中引入了Cu-3d杂质态 ,有利于可见光的吸收,但是置换Zn后不是很明显。Cu掺杂ZnO/GaN后引起吸收系数产生红 移,且Cu置换Ga后吸收系数在3.2 eV附近处产生明显的吸收峰55377 cm-1。Cu掺杂也使得复 介电常数虚部以及折射率虚部产生红移,说明掺杂有利于可见光的吸收。虽然Cu置换Ga后反 射率有了较大的提升,但是总体仍然维持在较低的水平,因此反射率较低。

    Abstract:

    ZnO/GaN heterojunction is an ideal material for the next generation el ectronic devices because of its low lattice mismatch,excellent chemical,optica l,piezoelectric and thermoelectric properties.However,the wide band gap of Zn O/GaN heterostructure restricts its application.In order to reduce the band ga p of ZnO/GaN heterojunction and improve the absorption of visible light,the eff ect of Cu doping on the stability,band gap and optical properties of ZnO/GaN he terojunction was studied by first principles.The results show that the binding energy of Cu-doped ZnO/GaN heterojunction is negative,so the structure is stab l e.However,the binding energy of Cu at the interface is smaller than that in th e matrix,so it is easier to form at the interface.Ga substitution with Cu can obviously reduce the band gap,and Cu-3d impurity state is introduced into the b and gap which is beneficial to the absorption of visible light.However,it is n ot obvious after Zn substitution.Red shift phenomenon appears in absorption coe fficient of Cu doped ZnO/GaN,and Ga substituted with Cu has an obvious absorpti on peak of 55377cm-1 near 3.2eV.Cu doping also cause s red shift of imaginary pa rts of dielectric function and refractive index,which indicates that doping is beneficial to the absorption of visible light.Although the reflectivity of Ga s ubstitution with Cu has been greatly improved,but the overall level is still lo w,so the reflectivity is low.

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董明慧,赵莲,王梦霞. Cu掺杂GaN/ZnO异质结的光学性质[J].光电子激光,2020,31(5):494~499

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  • 收稿日期:2020-01-02
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  • 在线发布日期: 2020-07-24
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