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Li Qiao-Li, Li Shen-Shen, Xiao Ji-Jun, Chen Zhao-Xu. First-principles study on the structure and stability of (H2dabco)[K(ClO4)3] under hydrostatic pressure. Acta Physica Sinica,
2024, 73(14): 143101.
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. First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica,
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Song Qing-Gong, Liu Li-Wei, Zhao Hui, Yan Hui-Yu, Du Quan-Guo. First-principles study on the electronic structure and optical properties of YFeO3. Acta Physica Sinica,
2012, 61(10): 107102.
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Du Yu-Jie, Chang Ben-Kang, Zhang Jun-Ju, Li Biao, Wang Xiao-Hui. First-principles study of the electronic structure and optical properties of GaN(0001) surface. Acta Physica Sinica,
2012, 61(6): 067101.
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Chen Zhong-Jun. First principles study of the elastic, electronic and optical properties of MgS under pressure. Acta Physica Sinica,
2012, 61(17): 177104.
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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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Wang Yu-Mei, Pei Hui-Xia, Ding Jun, Wen Li-Wei. First-principles study of magnetism and electronic structureof Sb-containing half-Heusler alloys. Acta Physica Sinica,
2011, 60(4): 047110.
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Liu Jian-Jun. First-principles calculation of electronic structure of (Zn,Al)O and analysis of its conductivity. Acta Physica Sinica,
2011, 60(3): 037102.
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Chen Qiu-Yun, Lai Xin-Chun, Wang Xiao-Ying, Zhang Yong-Bin, Tan Shi-Yong. First-principles study of the electronic structure and optical properties of UO2. Acta Physica Sinica,
2010, 59(7): 4945-4949.
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Wang Zhi-Gang, Zhang Yang, Wen Yu-Hua, Zhu Zi-Zhong. First-principles calculation of structural stability and electronic properties of ZnO atomic chains. Acta Physica Sinica,
2010, 59(3): 2051-2056.
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Liang Wei-Hua, Ding Xue-Cheng, Chu Li-Zhi, Deng Ze-Chao, Guo Jian-Xin, Wu Zhuan-Hua, Wang Ying-Long. First-principles study of electronic and optical properties of Ni-doped silicon nanowires. Acta Physica Sinica,
2010, 59(11): 8071-8077.
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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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Luo Li-Jin, Zhong Chong-Gui, Jiang Xue-Fan, Fang Jing-Huai, Jiang Qing. A first-principles study of electronic structure, magnetism, response to pressure and tetragonal distortions of Ni2MnSi Heusler alloy. Acta Physica Sinica,
2010, 59(1): 521-526.
doi: 10.7498/aps.59.521
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Song Jiu-Xu, Yang Yin-Tang, Liu Hong-Xia, Zhang Zhi-Yong. First-principles study of the electonic structure of nitrogen-doped silicon carbide nanotubes. Acta Physica Sinica,
2009, 58(7): 4883-4887.
doi: 10.7498/aps.58.4883
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Liu Jun-Min, Sun Li-Zhong, Chen Yuan-Ping, Zhang Kai-Wang, Yuan Hui-Qiu, Zhong Jian-Xin. Electronic structure and bonding mechanism of La-Ir-Si: A first-principles study. Acta Physica Sinica,
2009, 58(11): 7826-7832.
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Guo Jian-Yun, Zheng Guang, He Kai-Hua, Chen Jing-Zhong. First-principles study on electronic structure and optical properties of Al and Mg doped GaN. Acta Physica Sinica,
2008, 57(6): 3740-3746.
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Ni Jian-Gang, Liu Nuo, Yang Guo-Lai, Zhang Xi. First-principle study on electronic structure of BaTiO3 (001) surfaces. Acta Physica Sinica,
2008, 57(7): 4434-4440.
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Ouyang Fang-Ping, Xu Hui, Wei Chen. First-principles study of electronic structure and transport properties of zigzag graphene nanoribbons. Acta Physica Sinica,
2008, 57(2): 1073-1077.
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Qiu An-Ning, Zhang Lan-Ting, Wu Jian-Sheng. First principles study of the electronic structure of ReSi1.75. Acta Physica Sinica,
2007, 56(8): 4891-4895.
doi: 10.7498/aps.56.4891
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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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