摘要
基于自洽的准粒子近似(GW近似)和求解Bethe-Salpete方程的多体微扰方法,准确计算了β-Ga 2O 3的电子结构、光学性质以及激子效应。准确绘制出了β-Ga 2O 3的第一布里渊区,确定了布里渊区高对称点及高对称点路径。基于GW方法修正计算了能带结构,计算得到的能带带隙为4.67 eV,与实验的结果比较吻合。计算得到了Γ点能带的电子有效质量,它们几乎是各向同性的,其值在0.27m e和0.28m e之间。包含激子效应的光学性质计算结果表明β-Ga 2O 3材料中的激子效应非常明显,主导了它的光学性质。还计算出了激子束缚能,及最大吸收峰位置与强度。
β-Ga 2O 3 is increasingly being used in a wide variety of devices,but some basic physical properties such as electronic structure,optical properties,and exciton effects are unclear.In this work,the electronic structure,optical properties and exciton effects ofβ-Ga 2O 3 were accurately calculated based on a self-consistent quasiparticle approximation(GW approximation).Firstly,the first Brillouin zone,the Brillouin zone high symmetry point and the high symmetry point path of the bulkβ-Ga 2O 3 were accurately made.The energy band structure was modified based on the GW method,and the calculated band gap was 4.67 eV,which is in good agreement with the experimental results.The effective mass of the electrons at the energy point of the defect is calculated.They are almost isotropic and have values between 0.27m e and 0.28m e.The calculation of the optical properties including the exciton effect indicates that the exciton effect in the bulkβ-Ga 2O 3 material is very obvious,which dominates its optical properties.We also calculated the exciton binding energy and the maximum absorption peak position and intensity.
作者
杨创华
YANG Chuang-hua(School of Physics and Telecommunication Engineering,Shaanxi University of Technology,Hanzhong 723000,China)
出处
《陕西理工大学学报（自然科学版）》
2019年第4期79-86,共8页
Journal of Shaanxi University of Technology:Natural Science Edition
基金
国家自然科学基金资助项目(11547039)
陕西省教育厅专项科研计划项目(18JK0154)
陕西理工大学人才启动资助项目(SLGKYQD2-05)
陕西省教育厅自然科学专项科研计划项目(17JK0164)
关键词
β-Ga
2O
3
自洽的准粒子近似
电子结构
光学性质
激子效应
β-Ga 2O 3
self-consistent quasiparticle approximation
electronic structure
optical properties
exciton effect
