[1] |
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 |
[2] |
Pan Feng-Chun, Xu Jia-Nan, Yang Hua, Lin Xue-Ling, Chen Huan-Ming.Ferromagnetism of undoped anatase TiO2 based on the first-principles calculations. Acta Physica Sinica, 2017, 66(5): 056101.doi:10.7498/aps.66.056101 |
[3] |
Rao Xue, Wang Ru-Zhi, Cao Jue-Xian, Yan Hui.First-principles calculation of doped GaN/AlN superlattices. Acta Physica Sinica, 2015, 64(10): 107303.doi:10.7498/aps.64.107303 |
[4] |
Hou Qing-Yu, Zhao Chun-Wang.A first-principle study of the effect of W-doping on physical properties of anatase TiO2. Acta Physica Sinica, 2015, 64(24): 247201.doi:10.7498/aps.64.247201 |
[5] |
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 |
[6] |
Wang Jiang-Duo, Dai Jian-Qing, Song Yu-Min, Zhang Hu, Niu Zhi-Hui.First-principles study of the lattice dynamics, dielectric and piezoelectric response in BaTiO3/SrTiO3 (1:1) superlattice. Acta Physica Sinica, 2014, 63(12): 126301.doi:10.7498/aps.63.126301 |
[7] |
Zheng Shu-Kai, Wu Guo-Hao, Liu Lei.First-principles calculations of P-doped anatase TiO2. Acta Physica Sinica, 2013, 62(4): 043102.doi:10.7498/aps.62.043102 |
[8] |
Li Zong-Bao, Wang Xia, Jia Li-Chao.Synergistic effects in Fe/N codoped anatase TiO2 (101) surface:a theoretical study based on density functional theory calculation. Acta Physica Sinica, 2013, 62(20): 203103.doi:10.7498/aps.62.203103 |
[9] |
Tang Dong-Hua, Xue Lin, Sun Li-Zhong, Zhong Jian-Xin.Doping effect of boron in Hg0.75Cd0.25Te: first-principles study. Acta Physica Sinica, 2012, 61(2): 027102.doi:10.7498/aps.61.027102 |
[10] |
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 |
[11] |
Lu Jin-Lian, Cao Jue-Xian.A first-principles study of capacity and mechanism of a single titanium atom storing hydrogen. Acta Physica Sinica, 2012, 61(14): 148801.doi:10.7498/aps.61.148801 |
[12] |
Li Ai-Hong, Mu Yan-Qing, Yang Wei-Ming, Hou Hua, Han Pei-De, Zhang Su-Ying, Huang Zhi-Wei, Zhao Yu-Hong.First principles study on substitution behavior and alloying effects of Nb in Ni3Al. Acta Physica Sinica, 2011, 60(4): 047103.doi:10.7498/aps.60.047103 |
[13] |
Sun Wei-Feng, Li Mei-Cheng, Zhao Lian-Cheng.First-principles investigation of carrier Auger lifetime and impact ionization rate in narrow-gap superlattices. Acta Physica Sinica, 2010, 59(8): 5661-5666.doi:10.7498/aps.59.5661 |
[14] |
Hou Qing-Yu, Zhao Chun-Wang, Jin Yong-Jun, Guan Yu-Qin, Lin Lin, Li Ji-Jun.Effects of the concentration of Ga high doping on electric conductivity and red shift of ZnO from frist-principles. Acta Physica Sinica, 2010, 59(6): 4156-4161.doi:10.7498/aps.59.4156 |
[15] |
Jiang Xue-Fan, Luo Li-Jin, Jiang Qing, Zhong Chong-Gui, Tan Zhi-Zhong, Quan Hong-Rui.First-principle prediction of magnetic shape memory effect of Heusler alloy Mn2NiGe. Acta Physica Sinica, 2010, 59(11): 8037-8041.doi:10.7498/aps.59.8037 |
[16] |
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 |
[17] |
Huang Yun-Xia, Cao Quan-Xi, Li Zhi-Min, Li Gui-Fang, Wang Yu-Peng, Wei Yun-Ge.First-principles calculation of microwave dielectric properties of Al-doping ZnO powders. Acta Physica Sinica, 2009, 58(11): 8002-8007.doi:10.7498/aps.58.8002 |
[18] |
Hou Qing-Yu, Zhang Yue, Zhang Tao.First principle study on the electron life span of degenerate anatase phase TiO2 semi-conductor with high concentration of oxygen vacancies. Acta Physica Sinica, 2008, 57(5): 3155-3159.doi:10.7498/aps.57.3155 |
[19] |
Zhao Zong-Yan, Liu Qing-Ju, Zhang Jin, Zhu Zhong-Qi.First-principles study of 3d transition metal-doped anatase. Acta Physica Sinica, 2007, 56(11): 6592-6599.doi:10.7498/aps.56.6592 |
[20] |
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.doi:10.7498/aps.56.1585 |