[1] |
Hu Ting-He, Li Zhi-Hao, Zhang Qian-Fan.First principles and molecular dynamics simulations of effect of dopants on properties of high strength steel for hydrogen storage vessels. Acta Physica Sinica, 2024, 73(6): 067101.doi:10.7498/aps.73.20231735 |
[2] |
Zhang Xiao-Ya, Song Jia-Xun, Wang Xin-Hao, Wang Jin-Bin, Zhong Xiang-Li.First principles calculation of optical absorption and polarization properties of In dopedh-LuFeO3. Acta Physica Sinica, 2021, 70(3): 037101.doi:10.7498/aps.70.20201287 |
[3] |
Gong Ling-Yun, Zhang Ping, Chen qian, Lou Zhi-Hao, Xu Jie, Gao Feng.First principles study of structure and property of Nb5+-doped SrTiO3. Acta Physica Sinica, 2021, 70(22): 227101.doi:10.7498/aps.70.20211241 |
[4] |
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 |
[5] |
Dai Yue-Hua, Pan Zhi-Yong, Chen Zhen, Wang Fei-Fei, Li Ning, Jin Bo, Li Xiao-Feng.Orientation and concentration of Ag conductive filament in HfO2-based resistive random access memory: first-principles study. Acta Physica Sinica, 2016, 65(7): 073101.doi:10.7498/aps.65.073101 |
[6] |
Qu Ling-Feng, Hou Qing-Yu, Xu Zhen-Chao, Zhao Chun-Wang.Photoelectric properties of Ti doped ZnO: First principles calculation. Acta Physica Sinica, 2016, 65(15): 157201.doi:10.7498/aps.65.157201 |
[7] |
Hou Qing-Yu, Qu Ling-Feng, Zhao Chun-Wang.Effects of Al-2N doping on the photoelectric properties of ZnO. Acta Physica Sinica, 2016, 65(5): 057401.doi:10.7498/aps.65.057401 |
[8] |
Jia Ming-Zhen, Wang Hong-Yan, Chen Yuan-Zheng, Ma Cun-Liang, Wang Hui.First-principles study of electronic structures and electrochemical properties for Al, Fe and Mg doped Li2MnSiO4. Acta Physica Sinica, 2015, 64(8): 087101.doi:10.7498/aps.64.087101 |
[9] |
Wang Yong-Zhen, Xu Zhao-Peng, Zhang Wen-Xiu, Zhang Xin, Wang Qian, Zhang Lei.First-principles study on the effect of Ge-doping on the conductivity of InI. Acta Physica Sinica, 2014, 63(23): 237101.doi:10.7498/aps.63.237101 |
[10] |
Hou Qing-Yu, Liu Quan-Long, Zhao Chun-Wang, Zhao Er-Jun.Impact of (Al, Ga, In) and 2N preferred orientation heavy co-doping on conducting property of ZnO. Acta Physica Sinica, 2014, 63(5): 057101.doi:10.7498/aps.63.057101 |
[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] |
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 |
[13] |
Hou Qing-Yu, Dong Hong-Ying, Ma Wen, Zhao Chun-Wang.Simulation and calculation of conducting property of Zn1-xTMxO (TM=Al, Ga, In). Acta Physica Sinica, 2013, 62(15): 157102.doi:10.7498/aps.62.157102 |
[14] |
Hou Qing-Yu, Wu Yun, Zhao Chun-Wang.Effect of concentration of heavy oxygen vacancy in rutile and anatase (TiO2) on electric conductivity performance studied by simulation and calculation. Acta Physica Sinica, 2013, 62(23): 237101.doi:10.7498/aps.62.237101 |
[15] |
Hou Qing-Yu, Ma Wen, Ying Chun.First principles study of effects of the concentration of Ga/N highly doped p-type ZnO on electric conductivity performance and red shift. Acta Physica Sinica, 2012, 61(1): 017103.doi:10.7498/aps.61.017103 |
[16] |
Hou Qing-Yu, Zao Chun-Wang, Li Ji-Jun, Wang Gang.Frist principles study of effect of high Al doping concentrationof p-type ZnO on electric conductivity performance. Acta Physica Sinica, 2011, 60(4): 047104.doi:10.7498/aps.60.047104 |
[17] |
Hou Qing-Yu, Zhao Chun-Wang, Jin Yong-Jun, Guan Yu-Qin, Lin Lin, Li Ji-Jun.Effects of the concentration of Ga high doping on electric conductivity and red shift of ZnO from frist-principles. Acta Physica Sinica, 2010, 59(6): 4156-4161.doi:10.7498/aps.59.4156 |
[18] |
Hou Qing-Yu, Zhao Chun-Wang, Jin Yong-Jun.First-principles study on the effects of the concentration of Al-2N high codoping on the electric conducting performance of ZnO. Acta Physica Sinica, 2009, 58(10): 7136-7140.doi:10.7498/aps.58.7136 |
[19] |
Yang Yin-Tang, Wu Jun, Cai Yu-Rong, Ding Rui-Xue, Song Jiu-Xu, Shi Li-Chun.First principles investigation on conductivity mechanism of p-type K:ZnO. Acta Physica Sinica, 2008, 57(11): 7151-7156.doi:10.7498/aps.57.7151 |
[20] |
Peng Li-Ping, Xu Ling, Yin Jian-Wu.First-principles study the optical properties of anatase TiO2 by N-doping. Acta Physica Sinica, 2007, 56(3): 1585-1589.doi:10.7498/aps.56.1585 |