[1] |
Yan Li-Bin, Bai Yu-Rong, Li Pei, Liu Wen-Bo, He Huan, He Chao-Hui, Zhao Xiao-Hong.First-principles calculations of point defect migration mechanisms in InP. Acta Physica Sinica, 2024, 73(18): 183101.doi:10.7498/aps.73.20240754 |
[2] |
Li Fa-Yun, Yang Zhi-Xiong, Cheng Xue, Zeng Li-Ying, Ouyang Fang-Ping.First-principles study of electronic structure and optical properties of monolayer defective tellurene. Acta Physica Sinica, 2021, 70(16): 166301.doi:10.7498/aps.70.20210271 |
[3] |
Zhang Mei-Ling, Chen Yu-Hong, Zhang Cai-Rong, Li Gong-Ping.Effect of intrinsic defects and copper impurities co-existing on electromagnetic optical properties of ZnO: First principles study. Acta Physica Sinica, 2019, 68(8): 087101.doi:10.7498/aps.68.20182238 |
[4] |
Liu Ru-Lin, Fang Liang, Hao Yue, Chi Ya-Qing.Density functional theory calculation of diffusion mechanism of intrinsic defects in rutile TiO2. Acta Physica Sinica, 2018, 67(17): 176101.doi:10.7498/aps.67.20180818 |
[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] |
Lin Qiao-Lu, Li Gong-Ping, Xu Nan-Nan, Liu Huan, Wang Cang-Long.A first-principles study on magnetic properties of the intrinsic defects in rutile TiO2. Acta Physica Sinica, 2017, 66(3): 037101.doi:10.7498/aps.66.037101 |
[7] |
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 |
[8] |
Zhang Zhi-Yu, Zhao Yang, Xue Quan-Xi, Wang Feng, Yang Jia-Min.Optical transparency of transparent window LiF in laser-driven quasi-isentropic compression experiment. Acta Physica Sinica, 2015, 64(20): 205202.doi:10.7498/aps.64.205202 |
[9] |
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 |
[10] |
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 |
[11] |
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 |
[12] |
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 |
[13] |
Li Xue-Mei, Yu Yu-Ying, Zhang Lin, Li Ying-Hua, Ye Su-Hua, Weng Ji-Dong.Elastic-plastic response of shocked 100 LiF and its window correction at 1550 nm wavelength. Acta Physica Sinica, 2012, 61(15): 156202.doi:10.7498/aps.61.156202 |
[14] |
Liu Bai-Nian, Ma Ying, Zhou Yi-Chun.First-principles study of defect properties in tetragonal BaTiO3. Acta Physica Sinica, 2010, 59(5): 3377-3383.doi:10.7498/aps.59.3377 |
[15] |
Wang Chao-Ying, Wang Zhen-Qing, Meng Qing-Yuan.Comparative study of the first-principles and empirical potential simulation of vacancies in silicon. Acta Physica Sinica, 2010, 59(5): 3370-3376.doi:10.7498/aps.59.3370 |
[16] |
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 |
[17] |
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 |
[18] |
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 |
[19] |
.First principles investigation of structural stability and electronic and optical properties of LiF and NaF under high pressure. Acta Physica Sinica, 2007, 56(12): 7201-7206.doi:10.7498/aps.56.7201 |
[20] |
Zhou Xian-Ming, Wang Xiao-Song, Li Sai-Nan, Li Jun, Li Jia-Bo, Jing Fu-Qian.Optical transparency of z-cut LiF, Al2O3 and LiTaO3 single crystals under strong shock compression. Acta Physica Sinica, 2007, 56(8): 4965-4970.doi:10.7498/aps.56.4965 |