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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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Qin Jing-Yun, Shu Qun-Wei, Yuan Yi, Qiu Wei, Xiao Li-Hua, Peng Ping, Lu Guo-Song. First-principles investigation on electronic structure and solar radiation shielding performance of Tl0.33WO3. Acta Physica Sinica,
2020, 69(4): 047102.
doi: 10.7498/aps.69.20191577
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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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Pan Feng-Chun, Lin Xue-Ling, Chen Huan-Ming. Electronic structure and optical properties of C doped rutile TiO2: the first-principles calculations. Acta Physica Sinica,
2015, 64(22): 224218.
doi: 10.7498/aps.64.224218
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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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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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Gong Li, Feng Xiang-Yang, Lu Yao, Zhang Chang-Wen, Wang Pei-Ji. The investigation on effect of property of ZnO photoelectric material by Ta-doping. Acta Physica Sinica,
2012, 61(9): 097101.
doi: 10.7498/aps.61.097101
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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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Lu Yao, Wang Pei-Ji, Zhang Chang-Wen, Jiang Lei, Zhang Guo-Lian, Song Peng. Material opto-electronic properties of In, N co-doped SnO2 studied by first principles. Acta Physica Sinica,
2011, 60(6): 063103.
doi: 10.7498/aps.60.063103
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Lu Yao, Wang Pei-Ji, Zhang Chang-Wen, Feng Xian-Yang, Jiang Lei, Zhang Guo-Lian. First-principles calculation on electronic structure and optical properties of iron-doped SnO2. Acta Physica Sinica,
2011, 60(11): 113101.
doi: 10.7498/aps.60.113101
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Huang Yun-Xia, Cao Quan-Xi, Li Zhi-Min, Li Gui-Fang, Wang Yu-Peng, Wei Yun-Ge. First-principles calculation of microwave dielectric properties of Al-doping ZnO powders. Acta Physica Sinica,
2009, 58(11): 8002-8007.
doi: 10.7498/aps.58.8002
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Li Xiao-Feng, Ji Guang-Fu, Peng Wei-Min, Shen Xiao-Meng, Zhao Feng. Elastic constants, electronic structure and optical properties of solid krypton under pressure by first-principles calculations. Acta Physica Sinica,
2009, 58(4): 2660-2666.
doi: 10.7498/aps.58.2660
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Xing Hai-Ying, Fan Guang-Han, Zhao De-Gang, He Miao, Zhang Yong, Zhou Tian-Ming. Electronic structure and optical properties of GaN with Mn-doping. Acta Physica Sinica,
2008, 57(10): 6513-6519.
doi: 10.7498/aps.57.6513
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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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Pan Hong-Zhe, Xu Ming, Zhu Wen-Jun, Zhou Hai-Ping. First-principles study on the electrical structures and optical properties of β-Si3N4. Acta Physica Sinica,
2006, 55(7): 3585-3589.
doi: 10.7498/aps.55.3585
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