First-principles study on electronic structure and optical properties of Cu-doped 尾-Ga₂O₃

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• 作者：Huiyu Yan ; Yanrui Guo ; Qinggong Song ; Yifei Chen
• 关键词：First-principles ; Cu-doped 尾-Ga2O3 ; Electronic structure ; Optical properties
• 刊名：Physica B
• 出版年：1 February, 2014
• 年：2014
• 卷：434
• 期：Complete
• 页码：181-184
• 全文大小：2097 K

文摘

The electronic and optical properties of the Cu-doped and intrinsic 尾-Ga₂O₃ are studied by using the first-principles calculation method. Results show that Cu-doped 尾-Ga₂O₃ can be fabricated in experiments. Two acceptor impurity levels are introduced near the top of the valence band by Cu dopant, indicating that Cu-doped gallium oxide is a promising p-type semiconductor. Cu-doped 尾-Ga₂O₃ can be used as intermediate band semiconductor in solar cell. Cu dopant induced 100% spin polarization near the Fermi level. The analysis results of optical properties reveal that Cu-doped 尾-Ga₂O₃ is a promising potential candidate for p-type ultraviolet (UV) transparent semiconductor.