[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] |
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] |
Hou Lu, Tong Xin, Ouyang Gang.First-principles study of atomic bond nature of one-dimensional carbyne chain under different strains. Acta Physica Sinica, 2020, 69(24): 246802.doi:10.7498/aps.69.20201231 |
[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] |
Wu Ruo-Xi, Liu Dai-Jun, Yu Yang, Yang Tao.First-principles investigations on structure and thermodynamic properties of CaS under high pressures. Acta Physica Sinica, 2016, 65(2): 027101.doi:10.7498/aps.65.027101 |
[8] |
Wang Xiao-Yuan, Zhao Feng-Peng, Wang Jie, Yan Ya-Bin.First-principle studies of mechanical, electronic properties and strain engineering of metal-organic framework. Acta Physica Sinica, 2016, 65(17): 178105.doi:10.7498/aps.65.178105 |
[9] |
Meng Fan-Shun, Li Jiu-Hui, Zhao Xing.First-principles study on the effects of Zn-segregation in CuΣ5 grain boundary. Acta Physica Sinica, 2014, 63(23): 237102.doi:10.7498/aps.63.237102 |
[10] |
Cheng Xu-Dong, Wu Hai-Xin, Tang Xiao-Lu, Wang Zhen-You, Xiao Rui-Chun, Huang Chang-Bao, Ni You-Bao.First principles study on the electronic structures and optical properties of Na2Ge2Se5. Acta Physica Sinica, 2014, 63(18): 184208.doi:10.7498/aps.63.184208 |
[11] |
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 |
[12] |
Zhang Ji, Wang Di, Zhang De-Ming, Zhang Qing-Li, Wan Song-Ming, Sun Dun-Lu, Yin Shao-Tang.Vibrational spectra and first principles calculation of BaBPO5 crystal. Acta Physica Sinica, 2013, 62(3): 037802.doi:10.7498/aps.62.037802 |
[13] |
Zhao Li-Kai, Zhao Er-Jun, Wu Zhi-Jian.First-principles calculations of structural thermodynamic and mechanical properties of 5d transitional metal diborides. Acta Physica Sinica, 2013, 62(4): 046201.doi:10.7498/aps.62.046201 |
[14] |
Meng Fan-Shun, Zhao Xing, Li Jiu-Hui.The first-principles study on properties of B-doped at interstitial site of Cu∑5 grain boundary. Acta Physica Sinica, 2013, 62(11): 117102.doi:10.7498/aps.62.117102 |
[15] |
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 |
[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] |
Li Qing-Kun, Sun Yi, Zhou Yu, Zeng Fan-Lin.First principles study on the structure and mechanical properties of hcp-C3 carbon bulk ring. Acta Physica Sinica, 2012, 61(4): 043103.doi:10.7498/aps.61.043103 |
[18] |
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 |
[19] |
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 |
[20] |
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 |