[1] |
Zheng Peng-Fei, Liu Zhi-Xu, Wang Chao, Liu Wei-Fang.First principles study on polarization and piezoelectric properties of group substitution regulated lead-free organic perovskite ferroelectrics. Acta Physica Sinica, 2024, 73(12): 126202.doi:10.7498/aps.73.20240385 |
[2] |
Shi Xiao-Hong, Hou Bin-Peng, Li Zhi-Shuo, Chen Jing-Jin, Shi Xiao-Wen, Zhu Zi-Zhong.Formation of oxygen vacancy clusters in Li-rich Mn-based cathode Materials of lithium-ion batteries: First-principles calculations. Acta Physica Sinica, 2023, 72(7): 078201.doi:10.7498/aps.72.20222300 |
[3] |
Yang Hai-Lin, Chen Qi-Li, Gu Xing, Lin Ning.First-principles calculations of O-atom diffusion on fluorinated graphene. Acta Physica Sinica, 2023, 72(1): 016801.doi:10.7498/aps.72.20221630 |
[4] |
Huang Bing-Quan, Zhou Tie-Ge, Wu Dao-Xiong, Zhang Zhao-Fu, Li Bai-Kui.Properties of vacancies and N-doping in monolayer g-ZnO: First-principles calculation and molecular orbital theory analysis. Acta Physica Sinica, 2019, 68(24): 246301.doi:10.7498/aps.68.20191258 |
[5] |
Chen Mei-Na, Zhang Lei, Gao Hui-Ying, Xuan Yan, Ren Jun-Feng, Lin Zi-Jing.DFT+U calculation of Sm3+ and Sr2+ co-doping effect on performance of CeO2-based electrolyte. Acta Physica Sinica, 2018, 67(8): 088202.doi:10.7498/aps.67.20172748 |
[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] |
Ye Hong-Jun, Wang Da-Wei, Jiang Zhi-Jun, Cheng Sheng, Wei Xiao-Yong.Ferroelectric phase transition of perovskite SnTiO3 based on the first principles. Acta Physica Sinica, 2016, 65(23): 237101.doi:10.7498/aps.65.237101 |
[8] |
Fu Zhi-Jian, Jia Li-Jun, Xia Ji-Hong, Tang Ke, Li Zhao-Hong, Quan Wei-Long, Chen Qi-Feng.A simple and effective simulation for electrical conductivity of warm dense titanium. Acta Physica Sinica, 2016, 65(6): 065201.doi:10.7498/aps.65.065201 |
[9] |
Zhang Zhao-Fu, Zhou Tie-Ge, Zuo Xu.First-principles calculations of h-BN monolayers by doping with oxygen and sulfur. Acta Physica Sinica, 2013, 62(8): 083102.doi:10.7498/aps.62.083102 |
[10] |
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 |
[11] |
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 |
[12] |
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 |
[13] |
Liu Jian-Jun.First-principles calculation of electronic structure of (Zn,Al)O and analysis of its conductivity. Acta Physica Sinica, 2011, 60(3): 037102.doi:10.7498/aps.60.037102 |
[14] |
Zhang Xue-Jun, Gao Pan, Liu Qing-Ju.First-principles study on electronic structure and optical properties of anatase TiO2 codoped with nitrogen and iron. Acta Physica Sinica, 2010, 59(7): 4930-4938.doi:10.7498/aps.59.4930 |
[15] |
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 |
[16] |
Chen Jing, Jin Guo-Jun, Ma Yu-Qiang.Effect of oxygen vacancy defect on the magnetic properties of Co-doped ZnO diluted magnetic semiconductor. Acta Physica Sinica, 2009, 58(4): 2707-2712.doi:10.7498/aps.58.2707 |
[17] |
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 |
[18] |
Jiang Ji-Hao, Wang Gui-Ji, Yang Yu.A new method to measure the electrical conductivity of metals in electric exploding. Acta Physica Sinica, 2008, 57(2): 1123-1127.doi:10.7498/aps.57.1123 |
[19] |
Song Qing-Gong, Jiang En-Yong, Pei Hai-Lin, Kang Jian-Hai, Guo Ying.First principles computational study on the stability of Li ion-vacancy two-dimensional ordered structures in intercalation compounds LixTiS2. Acta Physica Sinica, 2007, 56(8): 4817-4822.doi:10.7498/aps.56.4817 |
[20] |
Shi Yan-Xiang, Ge De-Biao, Wu Jian.Influence of charge and discharge processes of dust particles on the dust plasma conductivity. Acta Physica Sinica, 2006, 55(10): 5318-5324.doi:10.7498/aps.55.5318 |