[1] |
Liu Jun-Ling, Bai Yu-Jie, Xu Ning, Zhang Qin-Fang.First-principles study on electronic structure of GaS/Mg(OH)2heterostructure. Acta Physica Sinica, 2024, 73(13): 137103.doi:10.7498/aps.73.20231979 |
[2] |
Fu Xian-Kai, Chen Wan-Qi, Jiang Zhong-Sheng, Yang Bo, Zhao Xiang, Zuo Liang.First-principles investigation on elastic, electronic, and optical properties of Ti3O5. Acta Physica Sinica, 2019, 68(20): 207301.doi:10.7498/aps.68.20190664 |
[3] |
Hu Jie-Qiong, Xie Ming, Chen Jia-Lin, Liu Man-Men, Chen Yong-Tai, Wang Song, Wang Sai-Bei, Li Ai-Kun.First principles study of electronic and elastic properties of Ti3AC2 (A = Si, Sn, Al, Ge) phases. Acta Physica Sinica, 2017, 66(5): 057102.doi:10.7498/aps.66.057102 |
[4] |
Zhao Bai-Qiang, Zhang Yun, Qiu Xiao-Yan, Wang Xue-Wei.First-principles study on the electronic structures and optical properties of Cu, Fe doped LiNbO_3 crystals. Acta Physica Sinica, 2016, 65(1): 014212.doi:10.7498/aps.65.014212 |
[5] |
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 |
[6] |
Zhao Bai-Qiang, Zhang Yun, Qiu Xiao-Yan, Wang Xue-Wei.First-principles study of the electronic structures and absorption spectrum of Fe:Mg:LiNbO3 crystals. Acta Physica Sinica, 2015, 64(12): 124210.doi:10.7498/aps.64.124210 |
[7] |
Luo Zui-Fen, Cen Wei-Fu, Fan Meng-Hui, Tang Jia-Jun, Zhao Yu-Jun.First-principles study of electronic and optical properties of BiTiO3. Acta Physica Sinica, 2015, 64(14): 147102.doi:10.7498/aps.64.147102 |
[8] |
Zhou Shu-Lan, Zhao Xian, Jiang Xiang-Ping, Han Xiao-Dong.Electronic structures and phase instabilities of cubic Na1/2Bi1/2TiO3 and K1/2Bi1/2TiO3: a first-principles comparative study. Acta Physica Sinica, 2014, 63(16): 167101.doi:10.7498/aps.63.167101 |
[9] |
Deng Jiao-Jiao, Liu Bo, Gu Mu.First-principles study of LuI3 scintillator. Acta Physica Sinica, 2013, 62(6): 063101.doi:10.7498/aps.62.063101 |
[10] |
Yang Chun-Yan, Zhang Rong, Zhang Li-Min, Ke Xiang-Wei.Electronic structure and optical properties of 0.5NdAlO3-0.5CaTiO3 from first-principles calculation. Acta Physica Sinica, 2012, 61(7): 077702.doi:10.7498/aps.61.077702 |
[11] |
Song Qing-Gong, Liu Li-Wei, Zhao Hui, Yan Hui-Yu, Du Quan-Guo.First-principles study on the electronic structure and optical properties of YFeO3. Acta Physica Sinica, 2012, 61(10): 107102.doi:10.7498/aps.61.107102 |
[12] |
Zhou Jing, Liu Cun-Jin, Li Ru, Chen Wen.Effects of heterogeneous interfaces on microstructure and dielectric properties of Ca(Mg1/3Nb2/3)O3/CaTiO3 multilayered thin films. Acta Physica Sinica, 2012, 61(6): 067401.doi:10.7498/aps.61.067401 |
[13] |
Wang Yu-Mei, Pei Hui-Xia, Ding Jun, Wen Li-Wei.First-principles study of magnetism and electronic structureof Sb-containing half-Heusler alloys. Acta Physica Sinica, 2011, 60(4): 047110.doi:10.7498/aps.60.047110 |
[14] |
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 |
[15] |
Liu Feng-Li, Jiang Gang, Bai Li-Na, Kong Fan-Jie.First-principles study on the electronic structures of diadochic compounds Bi2Te3- x Sex(x ≤3). Acta Physica Sinica, 2011, 60(3): 037104.doi:10.7498/aps.60.037104 |
[16] |
Zhang Hai-Bo, Wang Zhi-Guo, Zu Xiao-Tao, Yang Ding-Yu, Zhu Xing-Hua.First principles study of electronic properties of carbon/silicon carbide nanotube heterojunction. Acta Physica Sinica, 2010, 59(11): 7961-7965.doi:10.7498/aps.59.7961 |
[17] |
Song Jiu-Xu, Yang Yin-Tang, Liu Hong-Xia, Zhang Zhi-Yong.First-principles study of the electonic structure of nitrogen-doped silicon carbide nanotubes. Acta Physica Sinica, 2009, 58(7): 4883-4887.doi:10.7498/aps.58.4883 |
[18] |
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 |
[19] |
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 |
[20] |
Pan Zhi-Jun, Zhang Lan-Ting, Wu Jian-Sheng.First-principles study of electronic structure for CoSi. Acta Physica Sinica, 2005, 54(1): 328-332.doi:10.7498/aps.54.328 |