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Luo Qiang, Yang Heng, Guo Ping, Zhao Jian-Fei. Density functional theory calculation of structure and electronic properties in N-methane hydrate. Acta Physica Sinica,
2019, 68(16): 169101.
doi: 10.7498/aps.68.20182230
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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.
doi: 10.7498/aps.64.203101
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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.
doi: 10.7498/aps.64.033101
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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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Wang Zhuan-Yu, Kang Wei-Li, Jia Jian-Feng, Wu Hai-Shun. Structure and stability of Ti2Bn (n=1-10) clusters: an ab initio investigation. Acta Physica Sinica,
2014, 63(23): 233102.
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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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Gao Tan-Hua, Wu Shun-Qing, Hu Chun-Hua, Zhu Zi-Zhong. The structural stability and electronic properties of monolayer BC2N. Acta Physica Sinica,
2011, 60(12): 127305.
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Ji Zheng-Hua, Zeng Xiang-Hua, Cen Jie-Ping, Tan Ming-Qiu. Electronic structure and phase transformation in ZnSe: An ab initio study. Acta Physica Sinica,
2010, 59(2): 1219-1224.
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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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Gao Hong, Zhu Wei-Hua, Tang Chun-Mei, Geng Fang-Fang, Yao Chang-Da, Xu Yun-Ling, Deng Kai-Ming. Density functional calculation on the geometric structure and electronic properties of the endohedral fullerene N2@C60. Acta Physica Sinica,
2010, 59(3): 1707-1711.
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Liu Qiang, Cheng Xin-Lu, Fan Yong-Heng, Yang Xiang-Dong. First-principles calculation of p-Zn1-xMgxO electronic structure by doping with Al and N. Acta Physica Sinica,
2009, 58(4): 2684-2691.
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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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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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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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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.
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Zhang Yong, Tang Chao-Qun, Dai Jun. Ab inition studies on the electric and optical properties of Rb2TeW3O12. Acta Physica Sinica,
2005, 54(2): 868-874.
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Shen Han-Xin, Cai Na-Li, Wen Yu-Hua, Zhu Zi-Zhong. Structural stability and electronic structures of Nb atomic chains. Acta Physica Sinica,
2005, 54(11): 5362-5366.
doi: 10.7498/aps.54.5362
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