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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.
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Cao Qing-Song, Deng Kai-Ming. Theoretical studies of geometric and electronic structures of X@C20F20 (X=He, Ne, Ar, Kr). Acta Physica Sinica,
2016, 65(5): 056102.
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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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Xie Xiao-Dong, Hao Yu-Ying, Zhang Ri-Guang, Wang Bao-Jun. Lithium-doped tris (8-hydroxyquinoline) aluminum studied by density functional theory. Acta Physica Sinica,
2012, 61(12): 127201.
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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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Yuan Jian-Mei, Hao Wen-Ping, Li Shun-Hui, Mao Yu-Liang. Density functional study on the adsorption of C atoms on Ni (111) surface. Acta Physica Sinica,
2012, 61(8): 087301.
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Tang Chun-Mei, Guo Wei, Zhu Wei-Hua, Liu Ming-Yi, Zhang Ai-Mei, Gong Jiang-Feng, Wang Hui. Density functional calculations of geomatric structure, electronic structure, stability, and magnetic properties of transitional atom endohedral unclassical fullerene M@C22(M=Sc,Ti, V, Cr, Mn, Fe, Co and Ni). Acta Physica Sinica,
2012, 61(2): 026101.
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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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Cheng Liang, Gan Zhang-Hua, Liu Wei, Zhao Xing-Zhong. First principles calculations of the electronic structure and optical properties of pure and (Nb, N) co-doped anatase. Acta Physica Sinica,
2012, 61(23): 237107.
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Li Chun-Xia, Dang Sui-Hu. Doped with Ag and Zn effects on electronic structure and optical properties of CdS. Acta Physica Sinica,
2012, 61(1): 017202.
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Zheng Shu-Wen, Fan Guang-Han, He Miao, Yao Guang-Rui, Chen Jun, He Long-Fei. Study on the electronic structures and energy band properties of Cd-doped wurtzite BeO. Acta Physica Sinica,
2012, 61(17): 177102.
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Zhang Xiu-Rong, Wu Li-Qing, Rao Qian. Theoretical study of electronic structure and optical properties of OsnN0,(n=1 6) clusters. Acta Physica Sinica,
2011, 60(8): 083601.
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Tang Xin, Zhang Qing-Yu, Lü Hai-Feng, Pu Chun-Ying. First-principles study on the electronic structures and structural stability of Cd-doped ZnO. Acta Physica Sinica,
2011, 60(3): 037101.
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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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Liu Xiao-Cun, Ji Yan-Ju, Zhao Jun-Qing, Liu Li-Qiang, Sun Zhao-Peng, Dong He-Lei. First-principles study on electronic structure of In-doped wurtzite ZnO. Acta Physica Sinica,
2010, 59(7): 4925-4929.
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Dang Sui-Hu, Li Chun-Xia, Han Pei-De. First-principles calculation of CdS electronic structure doped with Mg and Cu. Acta Physica Sinica,
2009, 58(6): 4137-4143.
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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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Tang Xin, Lü Hai-Feng, Ma Chun-Yu, Zhao Ji-Jun, Zhang Qing-Yu. First-principle study of electronic structure of Be-doping wurtzite ZnO. Acta Physica Sinica,
2008, 57(12): 7806-7813.
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Zhao Dong-Qiu, Diao Xian-Feng, Wang Gui-Li, Qiu Guo-Li, Huang Xiao-Wei, Li Yun-Cai. First-principle calculation of electronic structure of the wurtzite CdxZn1-xO. Acta Physica Sinica,
2008, 57(12): 7814-7821.
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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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