[1] |
Zhang Jia-Hui.Machine learning forin silicoprotein research. Acta Physica Sinica, 2024, 73(6): 069301.doi:10.7498/aps.73.20231618 |
[2] |
Zhou Jia-Jian, Zhang Yu-Wen, He Chao-Yu, Ouyang Tao, Li Jin, Tang Chao.First-principles study of structure prediction and electronic properties of two-dimensional SiP2allotropes. Acta Physica Sinica, 2022, 71(23): 236101.doi:10.7498/aps.71.20220853 |
[3] |
Peng Jun-Hui, Tikhonov Evgenii.First-principles study of vacancy ordered structures, mechanical properties and electronic properties of ternary Hf-C-N system. Acta Physica Sinica, 2021, 70(21): 216101.doi:10.7498/aps.70.20210244 |
[4] |
Wang Lan, Cheng Si-Yuan, Zeng Hang-Hang, Xie Cong-Wei, Gong Yuan-Hao, Zheng Zhi, Fan Xiao-Li.Structure prediction of CuBiI ternary compound and first-principles study of photoelectric properties. Acta Physica Sinica, 2021, 70(20): 207305.doi:10.7498/aps.70.20210145 |
[5] |
Sun Ying, Liu Han-Yu, Ma Yan-Ming.Progress on hydrogen-rich superconductors under high pressure. Acta Physica Sinica, 2021, 70(1): 017407.doi:10.7498/aps.70.20202189 |
[6] |
Wan Ya-Zhou, Gao Ming, Li Yong, Guo Hai-Bo, Li Yong-Hua, Xu Fei, Ma Zhong-Quan.First principle study of ternary combined-state and electronic structure in amorphous silica. Acta Physica Sinica, 2017, 66(18): 188802.doi:10.7498/aps.66.188802 |
[7] |
Fan Tao, Zeng Qing-Feng, Yu Shu-Yin.Novel compounds in the hafnium nitride system: first principle study of their crystal structures and mechanical properties. Acta Physica Sinica, 2016, 65(11): 118102.doi:10.7498/aps.65.118102 |
[8] |
Chen Qing-Ling, Dai Zhen-Hong, Liu Zhao-Qing, An Yu-Feng, Liu Yue-Lin.First-principles study on the structure stability and doping performance of double layer h-BN/Graphene. Acta Physica Sinica, 2016, 65(13): 136101.doi:10.7498/aps.65.136101 |
[9] |
Ma Zhen-Ning, Jiang Min, Wang Lei.First-principles study of electronic structures and phase stabilities of ternary intermetallic compounds in the Mg-Y-Zn alloys. Acta Physica Sinica, 2015, 64(18): 187102.doi:10.7498/aps.64.187102 |
[10] |
Yang Zhen-Hui, Wang Ju, Liu Yong, Wang Kang-Kai, Su Ting, Guo Chun-Lin, Song Chen-Lu, Han Gao-Rong.Investigation on the electrical properties of anatase and rutile Nb-doped TiO2 by GGA(+U). Acta Physica Sinica, 2014, 63(15): 157101.doi:10.7498/aps.63.157101 |
[11] |
Dai Yun-Ya, Yang Li, Peng Shu-Ming, Long Xing-Gui, Zhou Xiao-Song, Zu Xiao-Tao.First-principles calculation for mechanical properties of metal dihydrides. Acta Physica Sinica, 2012, 61(10): 108801.doi:10.7498/aps.61.108801 |
[12] |
Ming Xing, Wang Xiao-Lan, Du Fei, Chen Gang, Wang Chun-Zhong, Yin Jian-Wu.Phase transition and properties of siderite FeCO3 under high pressure: an ab initio study. Acta Physica Sinica, 2012, 61(9): 097102.doi:10.7498/aps.61.097102 |
[13] |
Liu Chun-Hua, Ouyang Chu-Ying, Ji Ying-Hua.First principles investigation of electronic structuresand stabilities of Mg2Ni and its complex hydrides. Acta Physica Sinica, 2011, 60(7): 077103.doi:10.7498/aps.60.077103 |
[14] |
Nie Zhao-Xiu, Wang Feng, Cheng Zhi-Mei, Wang Xin-Qiang, Lu Li-Ya, Liu Gao-Bin, Duan Zhuang-Fen.First-principles study on electronic structure and half-metallicferromagnetism of ternary compound ZnCrS. Acta Physica Sinica, 2011, 60(9): 096301.doi:10.7498/aps.60.096301 |
[15] |
Yu Da-Long, Chen Yu-Hong, Cao Yi-Jie, Zhang Cai-Rong.Ab initio structural simulation and electronic structure of lithium imide. Acta Physica Sinica, 2010, 59(3): 1991-1996.doi:10.7498/aps.59.1991 |
[16] |
Yang Tian-Xing, Cheng Qiang, Xu Hong-Bin, Wang Yuan-Xu.First-principles study of elastic and electronic properties of several ternary transition-metal carbides. Acta Physica Sinica, 2010, 59(7): 4919-4924.doi:10.7498/aps.59.4919 |
[17] |
Hu Fang, Ming Xing, Fan Hou-Gang, Chen Gang, Wang Chun-Zhong, Wei Ying-Jin, Huang Zu-Fei.First-principles study on the electronic structures of the ladder compound NaV2O4F. Acta Physica Sinica, 2009, 58(2): 1173-1178.doi:10.7498/aps.58.1173 |
[18] |
Song Qing-Gong, Wang Yan-Feng, Song Qing-Long, Kang Jian-Hai, Chu Yong.First-principle study on the electronic structures of intercalation compound Ag1/4TiSe2. Acta Physica Sinica, 2008, 57(12): 7827-7832.doi:10.7498/aps.57.7827 |
[19] |
Ming Xing, Fan Hou-Gang, Hu Fang, Wang Chun-Zhong, Meng Xing, Huang Zu-Fei, Chen Gang.First-principles study on the electronic structures of spin-Peierls compound GeCuO3. Acta Physica Sinica, 2008, 57(4): 2368-2373.doi:10.7498/aps.57.2368 |
[20] |
Song Qing-Gong, Jiang En-Yong, Pei Hai-Lin, Kang Jian-Hai, Guo Ying.First principles computational study on the stability of Li ion-vacancy two-dimensional ordered structures in intercalation compounds LixTiS2. Acta Physica Sinica, 2007, 56(8): 4817-4822.doi:10.7498/aps.56.4817 |