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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
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Zhang Lei, Chen Qi-Hang, Cao Shuo, Qian Ping. First-principles calculations of carrier mobility in monolayer IrSCl and IrSI. Acta Physica Sinica,
2024, 73(21): 217201.
doi: 10.7498/aps.73.20241044
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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
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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
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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
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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.
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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.
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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
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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.
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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
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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.
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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
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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.
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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
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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
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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.
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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.
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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.
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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
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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
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