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Peng Shu-Ping, Huang Xu-Dong, Liu Qian, Ren Peng, Wu Dan, Fan Zhi-Qiang. First-principles study of single-molecule-structure determination of dithienoborepin isomers. Acta Physica Sinica,
2023, 72(5): 058501.
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Zhou Jia-Jian, Zhang Yu-Wen, He Chao-Yu, Ouyang Tao, Li Jin, Tang Chao. First-principles study of structure prediction and electronic properties of two-dimensional SiP2 allotropes. Acta Physica Sinica,
2022, 71(23): 236101.
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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.
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Fu Xian-Kai, Chen Wan-Qi, Jiang Zhong-Sheng, Yang Bo, Zhao Xiang, Zuo Liang. First-principles investigation on elastic, electronic, and optical properties of Ti3O5. Acta Physica Sinica,
2019, 68(20): 207301.
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Zhu Li-Feng, Pan Wen-Yuan, Xie Yan, Zhang Bo-Ping, Yin Yang, Zhao Gao-Lei. Effect of regulation of defect ion on ferroelectric photovoltaic characteristics of BiFeO3-BaTiO3 based perovskite materials. Acta Physica Sinica,
2019, 68(21): 217701.
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Liu Fei, Wen Zhi-Peng. First principle study of occupancy, bonding characteristics and alloying effect of Zr, Nb, V in bulk α-Fe(C). Acta Physica Sinica,
2019, 68(13): 137101.
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Hu Jie-Qiong, Xie Ming, Chen Jia-Lin, Liu Man-Men, Chen Yong-Tai, Wang Song, Wang Sai-Bei, Li Ai-Kun. First principles study of electronic and elastic properties of Ti3AC2 (A = Si, Sn, Al, Ge) phases. Acta Physica Sinica,
2017, 66(5): 057102.
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Liu Bo, Wang Xuan-Jun, Bu Xiao-Yu. First principles investigations of structural, electronic and elastic properties of ammonium perchlorate under high pressures. Acta Physica Sinica,
2016, 65(12): 126102.
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Fan Kai-Min, Yang Li, Sun Qing-Qiang, Dai Yun-Ya, Peng Shu-Ming, Long Xing-Gui, Zhou Xiao-Song, Zu Xiao-Tao. First-principles study on elastic properties of hexagonal phase ErAx (A=H, He). Acta Physica Sinica,
2013, 62(11): 116201.
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Zhou Ping, Wang Xin-Qiang, Zhou Mu, Xia Chuan-Hui, Shi Ling-Na, Hu Cheng-Hua. First-principles study of pressure induced phase transition, electronic structure and elastic properties of CdS. Acta Physica Sinica,
2013, 62(8): 087104.
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Liang Pei, Liu Yang, Wang Le, Wu Ke, Dong Qian-Min, Li Xiao-Yan. Investigation of the doping failure induced by DB in the SiNWs using first principles method. Acta Physica Sinica,
2012, 61(15): 153102.
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Yang Ze-Jin, Linghu Rong-Feng, Cheng Xin-Lu, Yang Xiang-Dong. First-principles investigations on the electronic, elastic and thermodynamic properties of Cr2MC(M=Al, Ga). Acta Physica Sinica,
2012, 61(4): 046301.
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Fan Kai-Min, Yang Li, Peng Shu-Ming, Long Xing-Gui, Wu Zhong-Cheng, Zu Xiao-Tao. First-principles calculation for elastic constantsof α-ScDx(D=H, He). Acta Physica Sinica,
2011, 60(7): 076201.
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Yu Ben-Hai, Liu Mo-Lin, Chen Dong. First principles study of structural, electronic and elastic properties of Mg2 Si polymorphs. Acta Physica Sinica,
2011, 60(8): 087105.
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Li Shi-Na, Liu Yong. First-principles calculation of elastic and thermodynamic properties of copper nitride. Acta Physica Sinica,
2010, 59(10): 6882-6888.
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Li Xiao-Feng, Ji Guang-Fu, Peng Wei-Min, Shen Xiao-Meng, Zhao Feng. Elastic constants, electronic structure and optical properties of solid krypton under pressure by first-principles calculations. Acta Physica Sinica,
2009, 58(4): 2660-2666.
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Wang Na, Tang Bi-Yu. Structural，elastic and electronic properties of L12 aluminum phases from first principles calculation. Acta Physica Sinica,
2009, 58(13): 230-S234.
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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.
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Pan Zhi-Jun, Zhang Lan-Ting, Wu Jian-Sheng. First-principles study of electronic structure for CoSi. Acta Physica Sinica,
2005, 54(1): 328-332.
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Duan Ping, Tan Guo-Tai, Dai Shou-Yu, Chen Zheng-Hao, Zhou Yue-Liang, Lü Hui-Bin. Colossal magnetoresistance effect in the perovskite-type La0.9Sb 0.1MnO3 material. Acta Physica Sinica,
2003, 52(8): 2061-2065.
doi: 10.7498/aps.52.2061
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