共被期刊论文引用了3次
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| 1 | 应变ZnO光学和电学特性的第一性原理计算显示文摘基于应变张量理论,建立未应变ZnO与不同Mg组分表征的应变ZnO/Zn1-xMgxO超胞模型,进而采用密度泛函理论框架的第一性原理平面波规范-守恒赝势方法,研究应变ZnO的电学和光学特性。计算结果表明,导带电子有效质量随应力增加而稍有增加;'重空穴'带和'轻空穴带'的空穴有效质量几乎未受到应力的影响,而场致分裂带空穴有效质量随应力增加而明显减小,该结果与KP法计算结果一致。光学特性研究表明,在2340 eV高能段,由于应变ZnO的反射率和吸收值均小于未应变ZnO的反射率和吸收值,表明应变ZnO在高能段平均光透射率增加。 | 乔丽萍 柴常春 于新海 杨银堂 刘阳 | 2015 | 硅酸盐学报2015，43，4： | 2 |
| 2 | Strain effects on band structure of wurtzite ZnO: a GGA+U study显示文摘Band structures in wurtzite bulk ZnO/Zn1-xMgxO are calculated using first-principles based on the framework of generalized gradient approximation to density functional theory with the introduction of the on-site Coulomb interaction. Strain effects on band gap, splitting energies of valence bands, electron and hole effective masses in strained bulk ZnO are discussed. According to the results, the band gap increases gradually with increasing stress in strained ZnO as an Mg content of Zn1..xMgxO substrate less than 0.3, which is consistent with the experimental results. It is further demonstrated that electron mass of conduction band(CB) under stress increases slightly. There are almost no changes in effective masses of light hole band(LHB) and heavy hole band(HHB)along [00k] and [k00] directions under stress, and stress leads to an obvious decrease in effective masses of crystal splitting band(CSB) along the same directions. | 乔丽萍 柴常春 杨银堂 于新海 史春蕾 | 2014 | Journal of Semiconductors2014，35，7： | 1 |
| 3 | First-principles Theoretical Study on Band of Strained Wurtzite Nb-doped ZnO显示文摘The strain effects of the Zn1-xMgxO substrate on the bands structure of wurtzite Nb-doped Zn O bulk materials have been investigated using fi rst-principles calculations based on density functional theory. Firstly, the band gap increases gradually with increasing Nb contents in unstrained Nb-doped Zn O, which is consistent with the experimental results. Secondly, the band gap decreases with increasing substrate stress in Nb-doped Zn O/Zn1-xMgxO. Splitting energies between HHB(Heavy Hole Band) and LHB(Light Hole Band), HHB and CSB(Crystal Splitting Band) in Zn0.9167Nb0.0833O/Zn1-xMgxO almost remain unchanged with increasing substrate stress, while decrease slightly in Zn0.875Nb0.125O/Zn1-xMgxO. In addition, detailed analysis of the strain effects on the effective masses of electron and hole in Nb-doped Zn O/Zn1-xMgxO is also given. | 乔丽萍 CHAI Changchun YANG Yintang YU Xinhai SHI Chunlei | 2015 | Journal of Wuhan University of Technology(Materials Science)2015，30，3： | 1 |
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