[1] |
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.doi:10.7498/aps.69.20201231 |
[2] |
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 |
[3] |
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 |
[4] |
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 |
[5] |
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.doi:10.7498/aps.64.026602 |
[6] |
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 |
[7] |
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.doi:10.7498/aps.62.206102 |
[8] |
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.doi:10.7498/aps.62.127301 |
[9] |
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 |
[10] |
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.doi:10.7498/aps.62.037103 |
[11] |
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.doi:10.7498/aps.62.116201 |
[12] |
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.doi:10.7498/aps.62.077101 |
[13] |
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.doi:10.7498/aps.61.148801 |
[14] |
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.doi:10.7498/aps.60.076201 |
[15] |
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.doi:10.7498/aps.59.8037 |
[16] |
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.doi:10.7498/aps.59.4170 |
[17] |
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.doi:10.7498/aps.58.4853 |
[18] |
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 |
[19] |
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.doi:10.7498/aps.55.6042 |
[20] |
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.doi:10.7498/aps.52.312 |