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Qi Yu-Min, Chen Heng-Li, Jin Peng, Lu Hong-Yan, Cui Chun-Xiang. First-principles study of electronic structures and optical properties of Mn and Cu doped potassium hexatitanate (K2Ti6O13). Acta Physica Sinica,
2018, 67(6): 067101.
doi: 10.7498/aps.67.20172356
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Hu Jie-Qiong, Xie Ming, Chen Jia-Lin, Liu Man-Men, Chen Yong-Tai, Wang Song, Wang Sai-Bei, Li Ai-Kun. First principles study of electronic and elastic properties of Ti3AC2 (A = Si, Sn, Al, Ge) phases. Acta Physica Sinica,
2017, 66(5): 057102.
doi: 10.7498/aps.66.057102
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Wang Ying, Li Yong, Li Zong-Bao. First-principle studies of the electronic structures and optical properties of diamond crystal co-doped with B and N. Acta Physica Sinica,
2016, 65(8): 087101.
doi: 10.7498/aps.65.087101
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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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Zhou Peng-Li, Zheng Shu-Kai, Tian Yan, Zhang Shuo-Ming, Shi Ru-Qian, He Jing-Fang, Yan Xiao-Bing. First principles calculation of dielectric properties of Al and N codoped 3C-SiC. Acta Physica Sinica,
2014, 63(5): 053102.
doi: 10.7498/aps.63.053102
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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 Ze-Jin, Linghu Rong-Feng, Cheng Xin-Lu, Yang Xiang-Dong. First-principles investigations on the electronic, elastic and thermodynamic properties of Cr2MC(M=Al, Ga). Acta Physica Sinica,
2012, 61(4): 046301.
doi: 10.7498/aps.61.046301
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Sun Wei-Feng, Zheng Xiao-Xia. First-principles study of interface relaxation effects on interface structure, band structure and optical property of InAs/GaSb superlattices. Acta Physica Sinica,
2012, 61(11): 117301.
doi: 10.7498/aps.61.117301
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Li Zhi-Min, Shi Jian-Zhang, Wei Xiao-Hei, Li Pei-Xian, Huang Yun-Xia, Li Gui-Fang, Hao Yue. First principles calculation of electronic structure for Al-doped 3C-SiC and its microwave dielectric properties. Acta Physica Sinica,
2012, 61(23): 237103.
doi: 10.7498/aps.61.237103
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Lin Qi, Chen Yu-Hang, Wu Jian-Bao, Kong Zong-Min. Effect of N-doping on band structure and transport property of zigzag graphene nanoribbons. Acta Physica Sinica,
2011, 60(9): 097103.
doi: 10.7498/aps.60.097103
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Chen Ge, Zhang Jia-Liang, Hao Wen-Tao, Tan Yong-Qiang, Zheng Peng, Shao Shou-Fu. Microstructures and electrical properties of (Na1/2Bi1/2)Cu3Ti4O12 ceramics. Acta Physica Sinica,
2010, 59(5): 3509-3515.
doi: 10.7498/aps.59.3509
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Sun Wei-Feng, Li Mei-Cheng, Zhao Lian-Cheng. Phonon band structure and electron-phonon interactions in Ga and Sb nanowires: a first-principles study. Acta Physica Sinica,
2010, 59(10): 7291-7297.
doi: 10.7498/aps.59.7291
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Guo Xi, Wang Xia, Zheng Wu, Tang Wei-Hua. Dielectric properties of Eu-doped polycrystalline TbMnO3. Acta Physica Sinica,
2010, 59(4): 2815-2819.
doi: 10.7498/aps.59.2815
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Kong Xiang-Lan, Hou Qin-Ying, Su Xi-Yu, Qi Yan-Hua, Zhi Xiao-Fen. First-principles study of the electronic structure and optical properties of Ba0.5Sr0.5TiO3. Acta Physica Sinica,
2009, 58(6): 4128-4131.
doi: 10.7498/aps.58.4128
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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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Song Jian-Jun, Zhang He-Ming, Dai Xian-Ying, Hu Hui-Yong, Xuan Rong-Xi. Band structure of strained Si/(111)Si1-xGex: a first principles investigation. Acta Physica Sinica,
2008, 57(9): 5918-5922.
doi: 10.7498/aps.57.5918
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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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