[1] |
Tian Cheng, Lan Jian-Xiong, Wang Cang-Long, Zhai Peng-Fei, Liu Jie. First-principles study of phase transition of BaF
2 under 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
|
[4] |
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
|
[5] |
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
|
[6] |
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
|
[7] |
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
|
[8] |
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
|
[9] |
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
|
[12] |
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
|
[13] |
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
|
[14] |
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
|
[15] |
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
|
[16] |
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
|
[17] |
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] |
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
|
[20] |
Ni Jian-Gang, Liu Nuo, Yang Guo-Lai, Zhang Xi. First-principle study on electronic structure of BaTiO3 (001) surfaces. Acta Physica Sinica,
2008, 57(7): 4434-4440.
doi: 10.7498/aps.57.4434
|