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Zhang Qiao, Tan Wei, Ning Yong-Qi, Nie Guo-Zheng, Cai Meng-qiu, Wang Jun-Nian, Zhu Hui-Ping, Zhao Yu-Qing. Prediction of Magnetic Janus Materials Based on Machine Learning and First-Principles Calculations. Acta Physica Sinica,
2024, 73(23): 230201.
doi: 10.7498/aps.73.20241278
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Lü Cheng-Ye, Chen Ying-Wei, Xie Mu-Ting, Li Xue-Yang, Yu Hong-Yu, Zhong Yang, Xiang Hong-Jun. First-principles calculation method for periodic system under external electromagnetic field. Acta Physica Sinica,
2023, 72(23): 237102.
doi: 10.7498/aps.72.20231313
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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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Wang Yan, Chen Nan-Di, Yang Chen, Zeng Zhao-Yi, Hu Cui-E, Chen Xiang-Rong. Thermoelectric transport properties of two-dimensional materials XTe2 (X = Pd, Pt) via first-principles calculations. Acta Physica Sinica,
2021, 70(11): 116301.
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Luan Li-Jun, He Yi, Wang Tao, Liu Zong-Wen. First-principles study of e interface interaction and photoelectric properties of the solar cell heterojunction CdS/CdMnTe. Acta Physica Sinica,
2021, 70(16): 166302.
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Wang Qi, Tang Fa-Wei, Hou Chao, Lü Hao, Song Xiao-Yan. First-principles calculations of solute-segreagtion of W-In alloys at grain boundaries. Acta Physica Sinica,
2019, 68(7): 077101.
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Wang Yan, Cao Qian-Hui, Hu Cui-E, Zeng Zhao-Yi. First-principles calculations of high pressure phase transition of Ce-La-Th alloy. Acta Physica Sinica,
2019, 68(8): 086401.
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Jiang Ping-Guo, Wang Zheng-Bing, Yan Yong-Bo, Liu Wen-Jie. First-principles study of absorption mechanism of hydrogen on W20O58 (010) surface. Acta Physica Sinica,
2017, 66(24): 246801.
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Bai Jing, Wang Xiao-Shu, Zu Qi-Rui, Zhao Xiang, Zuo Liang. Defect stabilities and magnetic properties of Ni-X-In (X= Mn, Fe and Co) alloys: a first-principle study. Acta Physica Sinica,
2016, 65(9): 096103.
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Chen Jia-Hua, Liu En-Ke, Li Yong, Qi Xin, Liu Guo-Dong, Luo Hong-Zhi, Wang Wen-Hong, Wu Guang-Heng. First-principles investigations on tetragonal distortion, electronic structure, magnetism, and phonon dispersion of Ga2XCr (X = Mn, Fe, Co, Ni, Cu) Heusler alloys. Acta Physica Sinica,
2015, 64(7): 077104.
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Zhang Zhao-Fu, Geng Zhao-Hui, Wang Peng, Hu Yao-Qiao, Zheng Yu-Fei, Zhou Tie-Ge. Properties of 5d atoms doped boron nitride nanotubes：a first-principles calculation and molecular orbital analysis. Acta Physica Sinica,
2013, 62(24): 246301.
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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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Deng Jiao-Jiao, Liu Bo, Gu Mu, Liu Xiao-Lin, Huang Shi-Ming, Ni Chen. First principles calculation of electronic structures and optical properties for -CuX(X = Cl, Br, I). Acta Physica Sinica,
2012, 61(3): 036105.
doi: 10.7498/aps.61.036105
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Lü Quan, Huang Wei-Qi, Wang Xiao-Yun, Meng Xiang-Xiang. The first-principle calculations and analysis on density of states of silion plane (111) formed by nitrogen film. Acta Physica Sinica,
2010, 59(11): 7880-7884.
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Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai. Effect of Nb on electronic structure of NiTi intermetallic compound: A first-principles study. Acta Physica Sinica,
2010, 59(1): 515-520.
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Tan Xing-Yi, Jin Ke-Xin, Chen Chang-Le, Zhou Chao-Chao. Electronic structure of YFe2B2by first-principles calculation. Acta Physica Sinica,
2010, 59(5): 3414-3417.
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Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai. Effect of Nb doping on electronic structure of TiO2/NiTi interface: A first-principle study. Acta Physica Sinica,
2008, 57(12): 7794-7799.
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Liu Li-Hua, Zhang Ying, Lü Guang-Hong, Deng Sheng-Hua, Wang Tian-Min. First-principles study of the effects of Sr segregated on Al grain boundary. Acta Physica Sinica,
2008, 57(7): 4428-4433.
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Yu Yang, Xu Li-Fang, Gu Chang-Zhi. Ab initio study of the hydrogen-adsorbed diamond (001) surface. Acta Physica Sinica,
2004, 53(8): 2710-2714.
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Hou Zhu-Feng, Zhu Zhi-Zhong, Huang Mei-Chun, Huang Rong-Bin, Zheng Lan-Sun. . Acta Physica Sinica,
2002, 51(7): 1591-1595.
doi: 10.7498/aps.51.1591
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