| [1] |
Yuan Wen-Ling, Yao Bi-Xia, Li Xi, Hu Shun-Bo, Ren Wei. First principles study on structural stability, mechanical, and thermodynamic properties of γ'-Co3(V, M) (M = Ti, Ta) phase. Acta Physica Sinica,
2024, 73(8): 086104.
doi: 10.7498/aps.73.20231755
|
| [2] |
Zhang Shuo-Xin, Liu Shi-Yu, Yan Da-Li, Yu Qian, Ren Hai-Tao, Yu Bin, Li De-Jun. First-principles study of structural stability and mechanical properties of Ta1–xHfxC and Ta1–xZrxC solid solutions. Acta Physica Sinica,
2021, 70(11): 117102.
doi: 10.7498/aps.70.20210191
|
| [3] |
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.
doi: 10.7498/aps.70.20211241
|
| [4] |
Hu Qian-Ku, Qin Shuang-Hong, Wu Qing-Hua, Li Dan-Dan, Zhang Bin, Yuan Wen-Feng, Wang Li-Bo, Zhou Ai-Guo. First-principles calculations of stabilities and physical properties of ternary niobium borocarbides and tantalum borocarbides. Acta Physica Sinica,
2020, 69(11): 116201.
doi: 10.7498/aps.69.20200234
|
| [5] |
Qi Yu-Min, Chen Heng-Li, Jin Peng, Lu Hong-Yan, Cui Chun-Xiang. First-principles study of electronic structures and optical properties of Mn and Cu doped potassium hexatitanate (K2Ti6O13). Acta Physica Sinica,
2018, 67(6): 067101.
doi: 10.7498/aps.67.20172356
|
| [6] |
Ye Hong-Jun, Wang Da-Wei, Jiang Zhi-Jun, Cheng Sheng, Wei Xiao-Yong. Ferroelectric phase transition of perovskite SnTiO3 based on the first principles. Acta Physica Sinica,
2016, 65(23): 237101.
doi: 10.7498/aps.65.237101
|
| [7] |
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.
doi: 10.7498/aps.64.077104
|
| [8] |
Shen Jie, Wei Bin, Zhou Jing, Shen Shirley Zhiqi, Xue Guang-Jie, Liu Han-Xing, Chen Wen. First-principle study of electronic structure and optical properties of Ba(Mg1/3Nb2/3)O3. Acta Physica Sinica,
2015, 64(21): 217801.
doi: 10.7498/aps.64.217801
|
| [9] |
Liu Shi-Yu, Yu Da-Shu, Lü Yue-Kai, Li De-Jun, Cao Mao-Sheng. First-principles study of structural stability and electronic properties of tetragonal and orthorhombic as well as monoclinic K0.5Na0.5NbO3. Acta Physica Sinica,
2013, 62(17): 177102.
doi: 10.7498/aps.62.177102
|
| [10] |
Shao Qing-Sheng, Liu Shi-Yu, Zhao Hui, Yu Da-Shu, Cao Mao-Sheng. First-principles study of structural stability and electronic properties of rhombohedral and tetragonal PbZr0.5Ti0.5O3. Acta Physica Sinica,
2012, 61(4): 047103.
doi: 10.7498/aps.61.047103
|
| [11] |
Zhao Kun, Zhang Kun, Wang Jia-Jia, Yu Jin, Wu San-Xie. A first principles study on tetragonal distortion, magnetic property and elastic constants of Pd2 CrAl Heusler alloy. Acta Physica Sinica,
2011, 60(12): 127101.
doi: 10.7498/aps.60.127101
|
| [12] |
Luo Li-Jin, Zhong Chong-Gui, Jiang Xue-Fan, Fang Jing-Huai, Jiang Qing. A first-principles study of electronic structure, magnetism, response to pressure and tetragonal distortions of Ni2MnSi Heusler alloy. Acta Physica Sinica,
2010, 59(1): 521-526.
doi: 10.7498/aps.59.521
|
| [13] |
Liu Bai-Nian, Ma Ying, Zhou Yi-Chun. First-principles study of defect properties in tetragonal BaTiO3. Acta Physica Sinica,
2010, 59(5): 3377-3383.
doi: 10.7498/aps.59.3377
|
| [14] |
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
|
| [15] |
Zhu Zhen-Ye, Wang Biao, Zheng Yue, Wang Hai, Li Qing-Kun, Li Chen-Liang. First-principles study of structural instability and polarization in BaTiO3/SrTiO3 superlattice. Acta Physica Sinica,
2007, 56(10): 5986-5989.
doi: 10.7498/aps.56.5986
|
| [16] |
Zhang Yong, Tang Chao-Qun, Dai Jun. Ab inition studies on the electric and optical properties of Rb2TeW3O12. Acta Physica Sinica,
2005, 54(2): 868-874.
doi: 10.7498/aps.54.868
|
| [17] |
Xue Wei-Dong, Chen Zhao-Yong, Yang Chun, Li Yan-Rong. First-principles study on tetragonal BaTiO3 ferroelectric. Acta Physica Sinica,
2005, 54(2): 857-862.
doi: 10.7498/aps.54.857
|
| [18] |
Tang Chun-Hong, Cai Meng-Qiu, Yin Zhen, Zhang Ming-Sheng. Electronic band structure of ferroelectric SrBi2Nb2O9. Acta Physica Sinica,
2004, 53(9): 2931-2936.
doi: 10.7498/aps.53.2931
|
| [19] |
Wang Yuan-Xu, Wang Chun-Lei, Yuan Min, Zhao Ming-Lei, Zhong Wei-Lie. First principle study on optical properties of KTa0.5Nb0.5O3. Acta Physica Sinica,
2004, 53(9): 3141-3145.
doi: 10.7498/aps.53.3141
|
| [20] |
Wang Yuan-Xu, Zhong Wei-Lie, Wang Chun-Lei, Zhang Pei-Lin. . Acta Physica Sinica,
2002, 51(1): 171-173.
doi: 10.7498/aps.51.171
|
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