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Li Fa-Yun, Yang Zhi-Xiong, Cheng Xue, Zeng Li-Ying, Ouyang Fang-Ping. First-principles study of electronic structure and optical properties of monolayer defective tellurene. Acta Physica Sinica,
2021, 70(16): 166301.
doi: 10.7498/aps.70.20210271
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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 TiO2 from 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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Zhao Bai-Qiang, Zhang Yun, Qiu Xiao-Yan, Wang Xue-Wei. First-principles study on the electronic structures and optical properties of Cu, Fe doped LiNbO_3 crystals. Acta Physica Sinica,
2016, 65(1): 014212.
doi: 10.7498/aps.65.014212
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Luo Zui-Fen, Cen Wei-Fu, Fan Meng-Hui, Tang Jia-Jun, Zhao Yu-Jun. First-principles study of electronic and optical properties of BiTiO3. Acta Physica Sinica,
2015, 64(14): 147102.
doi: 10.7498/aps.64.147102
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Xie Zhi, Cheng Wen-Dan. First-principles study of electronic structure and optical properties of TiO2 nanotubes. Acta Physica Sinica,
2014, 63(24): 243102.
doi: 10.7498/aps.63.243102
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Cheng Xu-Dong, Wu Hai-Xin, Tang Xiao-Lu, Wang Zhen-You, Xiao Rui-Chun, Huang Chang-Bao, Ni You-Bao. First principles study on the electronic structures and optical properties of Na2Ge2Se5. Acta Physica Sinica,
2014, 63(18): 184208.
doi: 10.7498/aps.63.184208
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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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Cheng He-Ping, Dan Jia-Kun, Huang Zhi-Meng, Peng Hui, Chen Guang-Hua. First-principles study on the electronic structure and optical properties of RDX. Acta Physica Sinica,
2013, 62(16): 163102.
doi: 10.7498/aps.62.163102
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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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Wang Yin, Feng Qing, Wang Wei-Hua, Yue Yuan-Xia. First-principles study on the electronic and optical property of C-Zn co-doped anatase TiO2. Acta Physica Sinica,
2012, 61(19): 193102.
doi: 10.7498/aps.61.193102
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Yang Chun-Yan, Zhang Rong, Zhang Li-Min, Ke Xiang-Wei. Electronic structure and optical properties of 0.5NdAlO3-0.5CaTiO3 from first-principles calculation. Acta Physica Sinica,
2012, 61(7): 077702.
doi: 10.7498/aps.61.077702
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Song Qing-Gong, Liu Li-Wei, Zhao Hui, Yan Hui-Yu, Du Quan-Guo. First-principles study on the electronic structure and optical properties of YFeO3. Acta Physica Sinica,
2012, 61(10): 107102.
doi: 10.7498/aps.61.107102
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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, Huang Duo-Hui, Luo Hua-Feng, Wang Fan-Hou. First-principles study of Li-N acceptor pair codoped p-type ZnO. Acta Physica Sinica,
2010, 59(9): 6457-6465.
doi: 10.7498/aps.59.6457
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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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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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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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Shen Yi-Bin, Zhou Xun, Xu Ming, Ding Ying-Chun, Duan Man-Yi, Linghu Rong-Feng, Zhu Wen-Jun. Electronic structure and optical properties of ZnO doped with transition metals. Acta Physica Sinica,
2007, 56(6): 3440-3445.
doi: 10.7498/aps.56.3440
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