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Liu Chen-Xi, Pang Guo-Wang, Pan Duo-Qiao, Shi Lei-Qian, Zhang Li-Li, Lei Bo-Cheng, Zhao Xu-Cai, Huang Yi-Neng. First-principles study of influence of electric field on electronic structure and optical properties of GaN/g-C3N4 heterojunction. Acta Physica Sinica,
2022, 71(9): 097301.
doi: 10.7498/aps.71.20212261
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Liu Fei, Wen Zhi-Peng. First principle study of occupancy, bonding characteristics and alloying effect of Zr, Nb, V in bulk α-Fe(C). Acta Physica Sinica,
2019, 68(13): 137101.
doi: 10.7498/aps.68.20182282
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Chen Zhi-Peng, Ma Ya-Nan, Lin Xue-Ling, Pan Feng-Chun, Xi Li-Ying, Ma Zhi, Zheng Fu, Wang Yan-Qing, Chen Huan-Ming. Electronic structure and mechanical properties of Nb-doped -TiAl intermetallic compound. Acta Physica Sinica,
2017, 66(19): 196101.
doi: 10.7498/aps.66.196101
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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.
doi: 10.7498/aps.65.056102
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Ma Zhen-Ning, Jiang Min, Wang Lei. First-principles study of electronic structures and phase stabilities of ternary intermetallic compounds in the Mg-Y-Zn alloys. Acta Physica Sinica,
2015, 64(18): 187102.
doi: 10.7498/aps.64.187102
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Yan Xiao-Zhen, Kuang Xiao-Yu, Mao Ai-Jie, Kuang Fang-Guang, Wang Zhen-Hua, Sheng Xiao-Wei. First-principles study on the elastic, electronic and thermodynamic properties of ErNi2B2C under high pressure. Acta Physica Sinica,
2013, 62(10): 107402.
doi: 10.7498/aps.62.107402
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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.
doi: 10.7498/aps.61.026101
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Li Cong, Hou Qing-Yu, Zhang Zhen-Duo, Zhao Chun-Wang, Zhang Bing. First-principles study on the electronic structures and absorption spectra of Sm-N codoped anatase TiO2. Acta Physica Sinica,
2012, 61(16): 167103.
doi: 10.7498/aps.61.167103
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Qian Yu-Min, Xu Gang. Electronic structures cobalt group pnictides: BaT2P2 and BaT2As2 (T=Co, Rh, Ir). Acta Physica Sinica,
2011, 60(6): 067101.
doi: 10.7498/aps.60.067101
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Nie Zhao-Xiu, Wang Feng, Cheng Zhi-Mei, Wang Xin-Qiang, Lu Li-Ya, Liu Gao-Bin, Duan Zhuang-Fen. First-principles study on electronic structure and half-metallicferromagnetism of ternary compound ZnCrS. Acta Physica Sinica,
2011, 60(9): 096301.
doi: 10.7498/aps.60.096301
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Liu Feng-Li, Jiang Gang, Bai Li-Na, Kong Fan-Jie. First-principles study on the electronic structures of diadochic compounds Bi2Te3- x Sex(x ≤3). Acta Physica Sinica,
2011, 60(3): 037104.
doi: 10.7498/aps.60.037104
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Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai. Effect of Nb on electronic structure of NiTi intermetallic compound: A first-principles study. Acta Physica Sinica,
2010, 59(1): 515-520.
doi: 10.7498/aps.59.515
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Liu Fu, Zhou Ji-Cheng, Tan Xiao-Chao. First-principles study on 3C-SiC(001)-(2×1)surface atomic structure and electronic structure. Acta Physica Sinica,
2009, 58(11): 7821-7825.
doi: 10.7498/aps.58.7821
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Hu Fang, Ming Xing, Fan Hou-Gang, Chen Gang, Wang Chun-Zhong, Wei Ying-Jin, Huang Zu-Fei. First-principles study on the electronic structures of the ladder compound NaV2O4F. Acta Physica Sinica,
2009, 58(2): 1173-1178.
doi: 10.7498/aps.58.1173
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Bai Yu-Jie, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Chen Xuan, Tan Wei-Shi, Liu Yu-Zhen, Huang De-Cai. Density functional calculations on the geometric and electronic structures of the endohedral fullerene H2＠C60 and its dimmer. Acta Physica Sinica,
2008, 57(6): 3684-3689.
doi: 10.7498/aps.57.3684
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Jiang Yan-Ling, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Tan Wei-Shi, Huang De-Cai, Liu Yu-Zhen, Wu Hai-Ping. Density functional study on the structural and electronic properties of fullerene-barbituric acid and its dimmer. Acta Physica Sinica,
2008, 57(6): 3690-3697.
doi: 10.7498/aps.57.3690
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Song Qing-Gong, Wang Yan-Feng, Song Qing-Long, Kang Jian-Hai, Chu Yong. First-principle study on the electronic structures of intercalation compound Ag1/4TiSe2. Acta Physica Sinica,
2008, 57(12): 7827-7832.
doi: 10.7498/aps.57.7827
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Tang Chun-Mei, Yuan Yong-Bo, Deng Kai-Ming, Yang Jin-Long. Structural and electronic properties of C72 and La2@C72. Acta Physica Sinica,
2006, 55(7): 3601-3605.
doi: 10.7498/aps.55.3601
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Wang Xiao-Xiong, Li Hong-Nian. Core-level photoemission of Sm fullerides. Acta Physica Sinica,
2006, 55(8): 4259-4264.
doi: 10.7498/aps.55.4259
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Zhang Chang-Wen, Li Hua, Dong Jian-Min, Wang Yong-Juan, Pan Feng-Chun, Gu Yong-Quan, Li Wei. Studies on the electronic structures, exchange coupling and magnetic moments of spin and orbital in the compound SmCo55. Acta Physica Sinica,
2005, 54(4): 1814-1820.
doi: 10.7498/aps.54.1814
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