兴奋剂
半导体
红外线的
价(化学)
材料科学
吸收(声学)
电子结构
带隙
光电子学
价带
化学
光学
物理
计算化学
复合材料
有机化学
出处
期刊:中国物理B:英文版
日期:2012-01-01
卷期号:21 (12): 430-435
摘要
The electronic structures and optical properties of intrinsicβ-Ga2O3 and Zn-dopedβ-Ga2O3 are investigated by first-principles calculations.The analysis about the thermal stability shows that Zn-dopedβ-Ga2O3 remains stable. The Zn doping does not change the basic electronic structure ofβ-Ga2O3,but only generates an empty energy level above the maximum of the valence band,which is shallow enough to make the Zn-dopedβ-Ga2O3 a typical p-type semiconductor.Because of Zn doping,absorption and reflectivity are enhanced in the near infrared region.The higher absorption and reflectivity of ZnCa(2) than those of ZnCa(1)are due to more empty energy states of ZnCa(2)than those of ZnCa(1) near Ef in the near infrared region.
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