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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,
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Liu Ben-Qiong, Xie Lei, Duan Xiao-Xi, Sun Guang-Ai, Chen Bo, Song Jian-Ming, Liu Yao-Guang, Wang Xiao-Lin. First principles studies of phase transition and mechanical properties of uranium. Acta Physica Sinica,
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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,
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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,
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Jiang Dong-Dong, Gu Yan, Feng Yu-Jun, Du Jin-Mei. Phase transformation and dielectric properties of lead zirconate stannate titanate ferroelectric ceramic under hydraulic compression. Acta Physica Sinica,
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Chen Jun, He Jie, Lin Li-Bin, Song Ting-Ting. The theoretical study of metal-insulator transition of VO2. Acta Physica Sinica,
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Ji Zheng-Hua, Zeng Xiang-Hua, Cen Jie-Ping, Tan Ming-Qiu. Electronic structure and phase transformation in ZnSe: An ab initio study. Acta Physica Sinica,
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Lu Zhi-Peng, Zhu Wen-Jun, Lu Tie-Cheng, Liu Shao-Jun, Cui Xin-Lin, Chen Xiang-Rong. The mechanism of structure phase transition from α Fe to ε Fe under uniaxial strain: First-principles calculations. Acta Physica Sinica,
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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,
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Wang Hai-Yan, Cui Hong-Bao, Li Chang-Yun, Li Xu-Sheng, Wang Kuang-Fei. First-principles studies of the phase transition and thermodynamic properties of AlAs. Acta Physica Sinica,
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Gong Chang-Wei, Wang Yi-Nong, Yang Da-Zhi. Ab initio study of the martensitic transformation of NiTi shape memory alloys. Acta Physica Sinica,
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