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Hou Lu, Tong Xin, Ouyang Gang. First-principles study of atomic bond nature of one-dimensional carbyne chain under different strains. Acta Physica Sinica,
2020, 69(24): 246802.
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Fu Zheng-Hong, Li Ting, Shan Mei-Le, Guo Kang, Gou Guo-Qing. Effect of H on elastic properties of Mg2Si by the first principles calculation. Acta Physica Sinica,
2019, 68(17): 177102.
doi: 10.7498/aps.68.20190368
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Liu Kun, Wang Fu-He, Shang Jia-Xiang. First-principles study on the adsorption of oxygen at NiTi (110) surface. Acta Physica Sinica,
2017, 66(21): 216801.
doi: 10.7498/aps.66.216801
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Yang Biao, Wang Li-Ge, Yi Yong, Wang En-Ze, Peng Li-Xia. First-principles calculations of the diffusion behaviors of C, N and O atoms in V metal. Acta Physica Sinica,
2015, 64(2): 026602.
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Huang Yan-Ping, Yuan Jian-Mei, Guo Gang, Mao Yu-Liang. First-principles study on saturated adsorption of alkali metal atoms on silicene. Acta Physica Sinica,
2015, 64(1): 013101.
doi: 10.7498/aps.64.013101
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Shi Yu, Bai Yang, Mo Li-Bin, Xiang Qing-Yun, Huang Ya-Li, Cao Jiang-Li. First-principles calculation for hydrogen-doped hematite. Acta Physica Sinica,
2015, 64(11): 116301.
doi: 10.7498/aps.64.116301
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Zhang Yang, Huang Yan, Chen Xiao-Shuang, Lu Wei. The study of oxygen and sulfur adsorption on the InSb (110) surface, using first-principle energy calculations. Acta Physica Sinica,
2013, 62(20): 206102.
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Li Guo-Qi, Zhang Xiao-Chao, Ding Guang-Yue, Fan Cai-Mei, Liang Zhen-Hai, Han Pei-De. Study on the atomic and electronic structures of BiOCl{001} surface using first principles. Acta Physica Sinica,
2013, 62(12): 127301.
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Cao Juan, Cui Lei, Pan Jing. Magnetism of V, Cr and Mn doped MoS2 by first-principal study. Acta Physica Sinica,
2013, 62(18): 187102.
doi: 10.7498/aps.62.187102
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Wu Mu-Sheng, Xu Bo, Liu Gang, Ouyang Chu-Ying. First-principles study on the electronic structures of Cr- and W-doped single-layer MoS2. Acta Physica Sinica,
2013, 62(3): 037103.
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Fan Kai-Min, Yang Li, Sun Qing-Qiang, Dai Yun-Ya, Peng Shu-Ming, Long Xing-Gui, Zhou Xiao-Song, Zu Xiao-Tao. First-principles study on elastic properties of hexagonal phase ErAx (A=H, He). Acta Physica Sinica,
2013, 62(11): 116201.
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Luo Qiang, Tang Bin, Zhang Zhi, Ran Zeng-Ling. First principles calculation of adsorption for H2S on Fe(100) surface. Acta Physica Sinica,
2013, 62(7): 077101.
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Lu Jin-Lian, Cao Jue-Xian. A first-principles study of capacity and mechanism of a single titanium atom storing hydrogen. Acta Physica Sinica,
2012, 61(14): 148801.
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Fan Kai-Min, Yang Li, Peng Shu-Ming, Long Xing-Gui, Wu Zhong-Cheng, Zu Xiao-Tao. First-principles calculation for elastic constantsof α-ScDx(D=H, He). Acta Physica Sinica,
2011, 60(7): 076201.
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Jiang Xue-Fan, Luo Li-Jin, Jiang Qing, Zhong Chong-Gui, Tan Zhi-Zhong, Quan Hong-Rui. First-principle prediction of magnetic shape memory effect of Heusler alloy Mn2NiGe. Acta Physica Sinica,
2010, 59(11): 8037-8041.
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Li Qi, Fan Guang-Han, Xiong Wei-Ping, Zhang Yong. First-principles calculations of ZnO polar surfaces and N adsorption mechanism. Acta Physica Sinica,
2010, 59(6): 4170-4177.
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Zhou Jing-Jing, Chen Yun-Gui, Wu Chao-Ling, Zheng Xin, Fang Yu-Chao, Gao Tao. First-pricinples design on atomic scale for new lightweight hydrogen storage materials. Acta Physica Sinica,
2009, 58(7): 4853-4861.
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Zhu Jian-Xin, Li Yong-Hua, Meng Fan-Ling, Liu Chang-Sheng, Zheng Wei-Tao, Wang Yu-Ming. A first principles investigation on NiTi alloy. Acta Physica Sinica,
2008, 57(11): 7204-7209.
doi: 10.7498/aps.57.7204
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Yao Hong-Ying, Gu Xiao, Ji Min, Zhang Di-Er, Gong Xin-Gao. First-principles study of metal atoms adsorbed on SiO2 surface. Acta Physica Sinica,
2006, 55(11): 6042-6046.
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Wang Li-Guang, Wang Jun. Calculation of electron capture probabilities in collisions of O５＋ ion with H atom. Acta Physica Sinica,
2003, 52(2): 312-315.
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