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Huang Bing-Quan, Zhou Tie-Ge, Wu Dao-Xiong, Zhang Zhao-Fu, Li Bai-Kui.Properties of vacancies and N-doping in monolayer g-ZnO: First-principles calculation and molecular orbital theory analysis. Acta Physica Sinica, 2019, 68(24): 246301.doi:10.7498/aps.68.20191258 |
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Zhang Li-Li, Xia Tong, Liu Gui-An, Lei Bo-Cheng, Zhao Xu-Cai, Wang Shao-Xia, Huang Yi-Neng.Electronic and optical properties of n-pr co-doped anatase TiO2from first-principles. Acta Physica Sinica, 2019, 68(1): 017401.doi:10.7498/aps.68.20181531 |
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Xu Jia-Nan, Chen Huan-Ming, Pan Feng-Chun, Lin Xue-Ling, Ma Zhi, Chen Zhi-Peng.Electronic structures and ferroelectric properties of Ba-doped ZnO. Acta Physica Sinica, 2018, 67(10): 107701.doi:10.7498/aps.67.20172263 |
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Wu Jing-Jing, Tang Xin, Long Fei, Tang Bi-Yu.Effect of ZnO twin grain boundary on p-type conductivity of VZn-NO-H complex:a GGA+U study. Acta Physica Sinica, 2017, 66(13): 137101.doi:10.7498/aps.66.137101 |
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Hou Qing-Yu, Li Yong, Zhao Chun-Wang.First-principles study of Al-doped and vacancy on the magnetism of ZnO. Acta Physica Sinica, 2017, 66(6): 067202.doi:10.7498/aps.66.067202 |
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He Jing-Fang, Zheng Shu-Kai, Zhou Peng-Li, Shi Ru-Qian, Yan Xiao-Bing.First-principles calculations on the electronic and optical properties of ZnO codoped with Cu-Co. Acta Physica Sinica, 2014, 63(4): 046301.doi:10.7498/aps.63.046301 |
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Hou Qing-Yu, Dong Hong-Ying, Ying Chun, Ma Wen.First-principles study on the effect of high Mn doped on the band gap and absorption spectrum of ZnO. Acta Physica Sinica, 2013, 62(3): 037101.doi:10.7498/aps.62.037101 |
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Liu Wei-Jie, Sun Zheng-Hao, Huang Yu-Xin, Leng Jing, Cui Hai-Ning.Electronic structures and optical properties of rare earth element (Yb) with different valences doped in ZnO. Acta Physica Sinica, 2013, 62(12): 127101.doi:10.7498/aps.62.127101 |
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Li Hong-Lin, Zhang Zhong, Lü Ying-Bo, Huang Jin-Zhao, Zhang Ying, Liu Ru-Xi.First principles study on the electronic and optical properties of ZnO doped with rare earth. Acta Physica Sinica, 2013, 62(4): 047101.doi:10.7498/aps.62.047101 |
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Hou Qing-Yu, Dong Hong-Ying, Ying Chun, Ma Wen.First-principles study on the effects of high Al doped on the band gap and absorption spectrum of ZnO. Acta Physica Sinica, 2012, 61(16): 167102.doi:10.7498/aps.61.167102 |
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Yao Guang-Rui, Fan Guang-Han, Zheng Shu-Wen, Ma Jia-Hong, Chen Jun, Zhang Yong, Li Shu-Ti, Su Shi-Chen, Zhang Tao.First-principles study of p-type ZnO by Te-N codoping. Acta Physica Sinica, 2012, 61(17): 176105.doi:10.7498/aps.61.176105 |
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Qi Ning, Wang Yuan-Wei, Wang Dong, Wang Dan-Dan, Chen Zhi-Quan.Positron annihilation study of the microstructure of Co doped ZnO nanocrystals. Acta Physica Sinica, 2011, 60(10): 107805.doi:10.7498/aps.60.107805 |
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Zhang Fu-Chun, Zhang Wei-Hu, Dong Jun-Tang, Zhang Zhi-Yong.Electronic structure and magnetism of Cr-doped ZnO nanowires. Acta Physica Sinica, 2011, 60(12): 127503.doi:10.7498/aps.60.127503 |
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Yuan Di, Luo Hua-Feng, Huang Duo-Hui, Wang Fan-Hou.First-principles study of Zn,O codoped p-type AlN. Acta Physica Sinica, 2011, 60(7): 077101.doi:10.7498/aps.60.077101 |
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Guan Li, Li Qiang, Zhao Qing-Xun, Guo Jian-Xin, Zhou Yang, Jin Li-Tao, Geng Bo, Liu Bao-Ting.First-principles study of the optical properties of ZnO doped with Al, Ni. Acta Physica Sinica, 2009, 58(8): 5624-5631.doi:10.7498/aps.58.5624 |
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Yang Yin-Tang, Wu Jun, Cai Yu-Rong, Ding Rui-Xue, Song Jiu-Xu, Shi Li-Chun.First principles investigation on conductivity mechanism of p-type K:ZnO. Acta Physica Sinica, 2008, 57(11): 7151-7156.doi:10.7498/aps.57.7151 |
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Duan Man-Yi, Xu Ming, Zhou Hai-Ping, Chen Qing-Yun, Hu Zhi-Gang, Dong Cheng-Jun.Electronic structure and optical properties of ZnO doped with carbon. Acta Physica Sinica, 2008, 57(10): 6520-6525.doi:10.7498/aps.57.6520 |
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Zhao Hui-Fang, Cao Quan-Xi, Li Jian-Tao.First-principle study of N，Ga codoped p-type ZnO. Acta Physica Sinica, 2008, 57(9): 5828-5832.doi:10.7498/aps.57.5828 |
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Bi Yan-Jun, Guo Zhi-You, Sun Hui-Qing, Lin Zhu, Dong Yu-Cheng.The electronic structure and optical properties of Co and Mn codoped ZnO from first-principle study. Acta Physica Sinica, 2008, 57(12): 7800-7805.doi:10.7498/aps.57.7800 |
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Duan Man-Yi, Xu Ming, Zhou Hai-Ping, Shen Yi-Bin, Chen Qing-Yun, Ding Ying-Chun, Zhu Wen-Jun.First-principles study on the electronic structure and optical properties of ZnO doped with transition metal and N. Acta Physica Sinica, 2007, 56(9): 5359-5365.doi:10.7498/aps.56.5359 |
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