[1] |
Li Qiao-Li, Li Shen-Shen, Xiao Ji-Jun, Chen Zhao-Xu.First-principles study on the structure and stability of (H2dabco)[K(ClO4)3] under hydrostatic pressure. Acta Physica Sinica, 2024, 73(14): 143101.doi:10.7498/aps.73.20240477 |
[2] |
Wang Na, Xu Hui-Fang, Yang Qiu-Yun, Zhang Mao-Lian, Lin Zi-Jing.First-principles study of strain-tunable charge carrier transport properties and optical properties of CrI3monolayer. Acta Physica Sinica, 2022, 71(20): 207102.doi:10.7498/aps.71.20221019 |
[3] |
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 |
[4] |
Li Jun, Liu Li-Sheng, Xu Shuang, Zhang Jin-Yong.Mechanical, electronic properties and deformation mechanisms of Ti3B4under uniaxial compressions: a first-principles calculation. Acta Physica Sinica, 2020, 69(4): 043102.doi:10.7498/aps.69.20191194 |
[5] |
Hu Xue-Lan, Lu Rui-Zhi, Wang Zhi-Long, Wang Ya-Ru.First-principles study on effect of Re on micro structure and mechanical properties of Ni3Al intermetallics. Acta Physica Sinica, 2020, 69(10): 107101.doi:10.7498/aps.69.20200097 |
[6] |
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 |
[7] |
Pan Feng-Chun, Lin Xue-Ling, Chen Huan-Ming.Electronic structure and optical properties of C doped rutile TiO2: the first-principles calculations. Acta Physica Sinica, 2015, 64(22): 224218.doi:10.7498/aps.64.224218 |
[8] |
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 |
[9] |
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 |
[10] |
Zeng Xiao-Bo, Zhu Xiao-Ling, Li De-Hua, Chen Zhong-Jun, Ai Ying-Wei.First-principles calculations of the mechanical properties of IrB and IrB2. Acta Physica Sinica, 2014, 63(15): 153101.doi:10.7498/aps.63.153101 |
[11] |
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 |
[12] |
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 |
[13] |
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 |
[14] |
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 |
[15] |
Li De-Hua, Su Wen-Jin, Zhu Xiao-Ling.First-principles calculations for the mechanical properties of BC5. Acta Physica Sinica, 2012, 61(2): 023103.doi:10.7498/aps.61.023103 |
[16] |
Li Qing-Kun, Sun Yi, Zhou Yu, Zeng Fan-Lin.First principles study of the uniaxial compressive strength of bct-C4 carbon allotrope. Acta Physica Sinica, 2012, 61(9): 093104.doi:10.7498/aps.61.093104 |
[17] |
He Jie, Chen Jun, Wang Xiao-Zhong, Lin Li-Bin.The first principles study on mechanical propertiesof He doped grain boundary of Al. Acta Physica Sinica, 2011, 60(7): 077104.doi:10.7498/aps.60.077104 |
[18] |
Li Shi-Na, Liu Yong.First-principles calculation of elastic and thermodynamic properties of copper nitride. Acta Physica Sinica, 2010, 59(10): 6882-6888.doi:10.7498/aps.59.6882 |
[19] |
Li De-Hua, Zhu Xiao-Ling, Su Wen-Jin, Cheng Xin-Lu.First-principles calculations for the structure and mechanical properties of PtN2. Acta Physica Sinica, 2010, 59(3): 2004-2009.doi:10.7498/aps.59.2004 |
[20] |
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 |