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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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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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Cao Shan, Li Jun, Liu Yuan-Qiong, Wang Kai, Lin Wei, Lei Hai-Le. Effect of local coordination environment on molecule vibration in N2-molecule solid. Acta Physica Sinica,
2016, 65(3): 033103.
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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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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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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.
doi: 10.7498/aps.61.237107
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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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Li Kai, Tang Yong-Jian, Luo Jiang-Shan, Yi Yong, Ding Zhi-Jie. First-principles calculations of electronic structure and magnetism of Ni4NdB. Acta Physica Sinica,
2011, 60(9): 097503.
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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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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 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.
doi: 10.7498/aps.59.5429
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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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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.
doi: 10.7498/aps.58.1603
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Li Xi-Bo, Wang Hong-Yan, Luo Jiang-Shan, Wu Wei-Dong, Tang Yong-Jian. Density functional theory study of the geometry, stability and electronic properties of ScnO(n=1—9) clusters. Acta Physica Sinica,
2009, 58(9): 6134-6140.
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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.
doi: 10.7498/aps.57.6265
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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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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.
doi: 10.7498/aps.54.868
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