In the field of power and ultraviolet devices, GaO becomes an emerging semiconductor due to its large energy bandgap and suitable optical absorption wavelength at solar blind ultraviolet band. In this work, the electronic and optical properties of five GaO polymorphs are investigated by the first-principles calculations to study their potential in ultraviolet devices. The geometry structures, electronic structure, optical and electronic transport properties of five polymorphs have been investigated through GGA + U approach and deformation potential theory. Based on the deformation potential theory, the anisotropic electron mobility of five GaO polycrystals is obtained by analyzing the parameters obtained from the first-principles calculation. TCAD simulations using calculation results before show the spectral response of MSM solar-blind detectors based on five polymorphs, and indicating that ε-GaO is the best candidate material for solar blind UV detector. This work provides theoretical insights for the preparation of different phase gallium oxide materials and devices.

中文翻译：

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Ga2O3 五个不同相（α、β、ε、δ 和 γ）的电子输运和光学性质：第一性原理研究

在电力和紫外器件领域，GaO由于其较大的能带隙和在日盲紫外波段合适的光学吸收波长而成为新兴的半导体。在这项工作中，通过第一性原理计算研究了五种GaO多晶型物的电子和光学性质，以研究它们在紫外器件中的潜力。通过GGA+U方法和变形势理论研究了五种多晶型物的几何结构、电子结构、光学和电子输运性质。基于变形势理论，通过分析第一性原理计算得到的参数，得到了5种GaO多晶的各向异性电子迁移率。利用之前的计算结果进行的TCAD模拟显示了基于五种多晶型物的MSM日盲探测器的光谱响应，表明ε-GaO是日盲紫外探测器的最佳候选材料。这项工作为不同相氧化镓材料和器件的制备提供了理论见解。