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Ren Chao, Li Xiu-Yan, Luo Quan-Wei, Liu Rui-Ping, Yang Zhi, Xu Li-Chun. Electronic structure and optical absorption properties of -AgVO3 with vacancy defects. Acta Physica Sinica,
2017, 66(15): 157101.
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He Yan-Bin, Jia Jian-Feng, Wu Hai-Shun. First-principles study of stability and electronic structure of N2H4 adsorption on NiFe(111) alloy surface. Acta Physica Sinica,
2015, 64(20): 203101.
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Yang Zhen-Qing, Bai Xiao-Hui, Shao Chang-Jin. Density functional theory studies of (TiO2)12 quantum ring and its electronic properties when doped with transition metal compounds. Acta Physica Sinica,
2015, 64(7): 077102.
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Dai Guang-Zhen, Jiang Xian-Wei, Xu Tai-Long, Liu Qi, Chen Jun-Ning, Dai Yue-Hua. Effect of oxygen vacancy on lattice and electronic properties of HfO2 by means of density function theory study. Acta Physica Sinica,
2015, 64(3): 033101.
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Lü Jin, Yang Li-Jun, Wang Yan-Fang, Ma Wen-Jin. Density functional theory study of structure characteristics and stabilities of Al2Sn(n=2-10) clusters. Acta Physica Sinica,
2014, 63(16): 163601.
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Cao Qing-Song, Yuan Yong-Bo, Xiao Chuan-Yun, Lu Rui-Feng, Kan Er-Jun, Deng Kai-Ming. Density functional study on the geometric and electronic properties of C80H80. Acta Physica Sinica,
2012, 61(10): 106101.
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Zhang Bei, Bao An, Chen Chu, Zhang Jun. Density-functional theory study of ConCm (n=15, m=1,2) clusters. Acta Physica Sinica,
2012, 61(15): 153601.
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Yu Feng, Wang Pei-Ji, Zhang Chang-Wen. Electronic structure and optical properties of Al-doped SnO2. Acta Physica Sinica,
2011, 60(2): 023101.
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Zhang Zhi-Long, Chen Yu-Hong, Ren Bao-Xing, Zhang Cai-Rong, Du Rui, Wang Wei-Chao. Density functional theory study on the structure and properties of (HMgN3)n(n=15) clusters. Acta Physica Sinica,
2011, 60(12): 123601.
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Tang Hui-Shuai, Zhang Xiu-Rong, Gao Cong-Hua, Wu Li-Qing. The theory study of electronic structures and spectram properties of WnNim(n+m≤7; m=1, 2) clusters. Acta Physica Sinica,
2010, 59(8): 5429-5438.
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Yu Feng, Wang Pei-Ji, Zhang Chang-Wen. First-principles study of optical and electronic properties of N-doped SnO2. Acta Physica Sinica,
2010, 59(10): 7285-7290.
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Gu Juan, Wang Shan-Ying, Gou Bing-Cong. The geometrical structure, electronic structure and magnetism of bimetallic AunM2 （n=1,2; M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni） clusters. Acta Physica Sinica,
2009, 58(5): 3338-3351.
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Chen Liang, Xu Can, Zhang Xiao-Fang. Electronic properties of MgO nanotube clusters studied with density functional theory. Acta Physica Sinica,
2009, 58(3): 1603-1607.
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Zhu Ying-Tao, Yang Chuan-Lu, Wang Mei-Shan, Dong Yong-Mian. First-principles calculations on the electrical structures and vibration frequencies of β-Si3N4. Acta Physica Sinica,
2008, 57(2): 1048-1053.
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Li Xi-Bo, Luo Jiang-Shan, Guo Yun-Dong, Wu Wei-Dong, Wang Hong-Yan, Tang Yong-Jian. Density functional theory study of the stability, electronic and magnetic properties of Scn, Yn and Lan (n＝2—10) clusters. Acta Physica Sinica,
2008, 57(8): 4857-4865.
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Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Yuan Li-Hua, Li Yan-Long. Density functional theory study on the structures and properties of (Ca3N2)n(n=1—4) clusters. Acta Physica Sinica,
2008, 57(10): 6265-6270.
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Du Juan, Ji Zhen-Guo. The effect of Ⅲ-family element doping on electronic structures and electrical characteristics of SnO2. Acta Physica Sinica,
2007, 56(4): 2388-2392.
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Chen Yu-Hong, Zhang Cai-Rong, Ma Jun. Density functional theory study on the structure and properties of MgmBn(m=1,2;n=1—4) clusters. Acta Physica Sinica,
2006, 55(1): 171-178.
doi: 10.7498/aps.55.171
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Tan Ming-Qiu, Tao Xiang-Ming, Xu Xiao-Jun, Cai Jian-Qiu. Density functional theory study on the electronic structure of UAl3 a nd USn3. Acta Physica Sinica,
2003, 52(12): 3142-3149.
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Zhu Sheng Xiang, Li Rui, Yang Xiu Wen, Xue Chun Rong. Study on electronic structures of PuH2 with DVM. Acta Physica Sinica,
2003, 52(1): 67-71.
doi: 10.7498/aps.52.67
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