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Tian Cheng, Lan Jian-Xiong, Wang Cang-Long, Zhai Peng-Fei, Liu Jie.First-principles study of phase transition of BaF2under high pressue. Acta Physica Sinica, 2022, 71(1): 017102.doi:10.7498/aps.71.20211163 |
[2] |
.Phase transition of BaF2 under high pressue studied by a first-principles study. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211163 |
[3] |
Yan Shun-Tao, Jiang Zhen-Yi.First principles study of the effect of Cu doping on the martensitic transformation of TiNi alloy. Acta Physica Sinica, 2017, 66(13): 130501.doi:10.7498/aps.66.130501 |
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Yang Biao, Wang Li-Ge, Yi Yong, Wang En-Ze, Peng Li-Xia.First-principles calculations of the diffusion behaviors of C, N and O atoms in V metal. Acta Physica Sinica, 2015, 64(2): 026602.doi:10.7498/aps.64.026602 |
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Deng Fa-Ming, Gao Tao, Shen Yan-Hong, Gong Yan-Rong.Effect of intense laser irradiation on the structural stability of 3C-SiC. Acta Physica Sinica, 2015, 64(4): 046301.doi:10.7498/aps.64.046301 |
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Cui Yan-Xiang, Wang Yu-Mei, Li Fang-Hua.Atomic configurations of dislocation cores in a small-angle grain boundary of 3C-SiC film. Acta Physica Sinica, 2015, 64(4): 046801.doi:10.7498/aps.64.046801 |
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Zhou Peng-Li, Zheng Shu-Kai, Tian Yan, Zhang Shuo-Ming, Shi Ru-Qian, He Jing-Fang, Yan Xiao-Bing.First principles calculation of dielectric properties of Al and N codoped 3C-SiC. Acta Physica Sinica, 2014, 63(5): 053102.doi:10.7498/aps.63.053102 |
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Xie Dong, Leng Yong-Xiang, Huang Nan.Deposition and first-principles caculation of carbon-doped titanium monoxide films. Acta Physica Sinica, 2013, 62(19): 198103.doi:10.7498/aps.62.198103 |
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Zhang Pin-Liang, Gong Zi-Zheng, Ji Guang-Fu, Liu Song.First-principles study of high-pressure physical properties of α-Ti2Zr. Acta Physica Sinica, 2013, 62(4): 046202.doi:10.7498/aps.62.046202 |
[10] |
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.doi:10.7498/aps.62.087104 |
[11] |
Lu Zhi-Peng, Zhu Wen-Jun, Lu Tie-Cheng.Ab initio study of the bcc-to-hcp transition mechanism in Fe under pressure. Acta Physica Sinica, 2013, 62(5): 056401.doi:10.7498/aps.62.056401 |
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Wang Hai-Yan, Li Chang-Yun, Gao Jie, Hu Qian-Ku, Mi Guo-Fa.First-principles studies of the structural and thermodynamic properties of TiAl3 under high pressure. Acta Physica Sinica, 2013, 62(6): 068105.doi:10.7498/aps.62.068105 |
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Zhou Peng-Li, Shi Ru-Qian, He Jing-Fang, Zheng Shu-Kai.First principle study on B-Al co-doped 3C-SiC. Acta Physica Sinica, 2013, 62(23): 233101.doi:10.7498/aps.62.233101 |
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Li Zhi-Min, Shi Jian-Zhang, Wei Xiao-Hei, Li Pei-Xian, Huang Yun-Xia, Li Gui-Fang, Hao Yue.First principles calculation of electronic structure for Al-doped 3C-SiC and its microwave dielectric properties. Acta Physica Sinica, 2012, 61(23): 237103.doi:10.7498/aps.61.237103 |
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Yu Ben-Hai, Chen Dong.First-principles study on the electronic structure and phase transition of α-, β- and γ-Si3N4. Acta Physica Sinica, 2012, 61(19): 197102.doi:10.7498/aps.61.197102 |
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Deng Yang, Wang Ru-Zhi, Xu Li-Chun, Fang Hui, Yan Hui.Pressure induced band-gap changes in (Ba0.5Sr0.5)TiO3 (BST) from first-principles calculations. Acta Physica Sinica, 2011, 60(11): 117309.doi:10.7498/aps.60.117309 |
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Gu Xiong, Gao Shang-Peng.Ab initio calculation of pressure-induced phase transition of TiN polytypes. Acta Physica Sinica, 2011, 60(5): 057102.doi:10.7498/aps.60.057102 |
[18] |
Yuan Peng-Fei, Zhu Wen-Jun, Xu Ji-An, Liu Shao-Jun, Jing Fu-Qian.High pressure phase transition and phonon-dispersion relations of BeO calculated by first-principles method. Acta Physica Sinica, 2010, 59(12): 8755-8761.doi:10.7498/aps.59.8755 |
[19] |
Zhu Guo-Liang, Shu Da, Dai Yong-Bing, Wang Jun, Sun Bao-De.First principles study on substitution behaviour of Si in TiAl3. Acta Physica Sinica, 2009, 58(13): 210-S215.doi:10.7498/aps.58.210 |
[20] |
Sun Yuan, Huang Zu-Fei, Fan Hou-Gang, Ming Xing, Wang Chun-Zhong, Chen Gang.First-principles investigation on the role of ions in ferroelectric transition of BiFeO3. Acta Physica Sinica, 2009, 58(1): 193-200.doi:10.7498/aps.58.193.1 |