[1] |
Mo Qiu-Yan, Zhang Song, Jing Tao, Zhang Hong-Yun, Li Xian-Xu, Wu Jia-Yin.First-principles study of surface modification of CuSe. Acta Physica Sinica, 2023, 72(12): 127301.doi:10.7498/aps.72.20230093 |
[2] |
Peng Jun-Hui, Tikhonov Evgenii.First-principles study of vacancy ordered structures, mechanical properties and electronic properties of ternary Hf-C-N system. Acta Physica Sinica, 2021, 70(21): 216101.doi:10.7498/aps.70.20210244 |
[3] |
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 |
[4] |
Fu Bao-Qin, Hou Qing, Wang Jun, Qiu Ming-Jie, Cui Jie-Chao.Molecular dynamics study of trapping and detrapping process of hydrogen in tungsten vacancy. Acta Physica Sinica, 2019, 68(24): 240201.doi:10.7498/aps.68.20190701 |
[5] |
Gao Yun-Liang, Zhu Yuan-Jiang, Li Jin-Ping.First-principle study of initial irradiation damage in aluminum. Acta Physica Sinica, 2017, 66(5): 057104.doi:10.7498/aps.66.057104 |
[6] |
Hou Qing-Yu, Li Yong, Zhao Chun-Wang.First-principles study of Al-doped and vacancy on the magnetism of ZnO. Acta Physica Sinica, 2017, 66(6): 067202.doi:10.7498/aps.66.067202 |
[7] |
Dai Guang-Zhen, Dai Yue-Hua, Xu Tai-Long, Wang Jia-Yu, Zhao Yuan-Yang, Chen Jun-Ning, Liu Qi.First principles study on influence of oxygen vacancy in HfO2 on charge trapping memory. Acta Physica Sinica, 2014, 63(12): 123101.doi:10.7498/aps.63.123101 |
[8] |
Niu Hai-Bo, Chen Guang-De, Wu Ye-Long, Ye Hong-Gang.Influence of vacancy on spontaneous polarization of wurtzite AlN: a maximally localized Wannierfunction study. Acta Physica Sinica, 2014, 63(16): 167701.doi:10.7498/aps.63.167701 |
[9] |
Linghu Jia-Jun, Liang Gong-Ying.First-principles study on the luminescence property of In-doped ZnTe. Acta Physica Sinica, 2013, 62(10): 103102.doi:10.7498/aps.62.103102 |
[10] |
Xu Shuang, Guo Ya-Fang.Generation and evolution of vacancy-type defects in nano-Cu films during plastic deformation by means molecular dynamics. Acta Physica Sinica, 2013, 62(19): 196201.doi:10.7498/aps.62.196201 |
[11] |
Wei Zhe, Yuan Jian-Mei, Li Shun-Hui, Liao Jian, Mao Yu-Liang.Density functional study on the electronic and magnetic properties of two-dimensional hexagonal boron nitride containing vacancy. Acta Physica Sinica, 2013, 62(20): 203101.doi:10.7498/aps.62.203101 |
[12] |
Hou Qing-Yu, Wu Yun Ge Ri, Zhao Chun-Wang.Effects of the concentration of heavily oxygen vacancy of rutile TiO2 on electric conductivity performance from first principles study. Acta Physica Sinica, 2013, 62(16): 167201.doi:10.7498/aps.62.167201 |
[13] |
Li Yu-Bo, Wang Xiao, Dai Ting-Ge, Yuan Guang-Zhong, Yang Hang-Sheng.First-principle study of vacancy-induced cubic boron nitride electronic structure and optical propertiy changes. Acta Physica Sinica, 2013, 62(7): 074201.doi:10.7498/aps.62.074201 |
[14] |
He Xu, He Lin, Tang Ming-Jie, Xu Ming.Effects of the vacancy point-defect on electronic structure and optical properties of LiF under high pressure: A first principles investigation. Acta Physica Sinica, 2011, 60(2): 026102.doi:10.7498/aps.60.026102 |
[15] |
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 |
[16] |
Hou Qing-Yu, Zhang Yue, Zhang Tao.First-principles research on the effect of high oxygen vacancy concentration in anatase TiO2 on Mott phase transition, absorption spectrum Einstein shift and life_time of electrons. Acta Physica Sinica, 2008, 57(3): 1862-1866.doi:10.7498/aps.57.1862 |
[17] |
Hou Qing-Yu, Zhang Yue, Zhang Tao.First principle study on the electron life span of degenerate anatase phase TiO2 semi-conductor with high concentration of oxygen vacancies. Acta Physica Sinica, 2008, 57(5): 3155-3159.doi:10.7498/aps.57.3155 |
[18] |
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 |
[19] |
Pan Zhi-Jun, Zhang Lan-Ting, Wu Jian-Sheng.First-principles study of electronic structure for CoSi. Acta Physica Sinica, 2005, 54(1): 328-332.doi:10.7498/aps.54.328 |
[20] |
Hu Xiao-Jun, Dai Yong-Bing, He Xian-Chang, Shen He-Sheng, Li Rong-Bin.. Acta Physica Sinica, 2002, 51(6): 1388-1392.doi:10.7498/aps.51.1388 |