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Lü Chang-Wei, Wang Chen-Ju, Gu Jian-Bing.First-principles study of structural, elastic, thermodynamic, electronic and optical properties of cubic boron nitride and hexagonal boron nitride at high temperature and high pressure. Acta Physica Sinica, 2019, 68(7): 077102.doi:10.7498/aps.68.20182030 |
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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 |
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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 |
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Liu Bo, Wang Xuan-Jun, Bu Xiao-Yu.First principles investigations of structural, electronic and elastic properties of ammonium perchlorate under high pressures. Acta Physica Sinica, 2016, 65(12): 126102.doi:10.7498/aps.65.126102 |
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Gao Tan-Hua.Structural and electronic properties of hydrogenated bilayer silicene. Acta Physica Sinica, 2015, 64(7): 076801.doi:10.7498/aps.64.076801 |
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Gao Tan-Hua, Wu Shun-Qing, Zhang Peng, Zhu Zi-Zhong.Structural and electronic properties of hydrogenated bilayer boron nitride. Acta Physica Sinica, 2014, 63(1): 016801.doi:10.7498/aps.63.016801 |
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Wang Jin-Rong, Zhu Jun, Hao Yan-Jun, Ji Guang-Fu, Xiang Gang, Zou Yang-Chun.First-principles study of the structural, elastic and electronic properties of RhB under high pressure. Acta Physica Sinica, 2014, 63(18): 186401.doi:10.7498/aps.63.186401 |
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Niu Xue-Lian, Wang Li-Jiu, Sun Dan.The DFT analyses of effect of chromium and nickel additions on the mechanical properties of Fe3Al based alloys. Acta Physica Sinica, 2013, 62(3): 037104.doi:10.7498/aps.62.037104 |
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Wang Jin, Li Chun-Mei, Ao Jing, Li Feng, Chen Zhi-Qian.Elastic and optical properties of IVB group transition-metal nitrides. Acta Physica Sinica, 2013, 62(8): 087102.doi:10.7498/aps.62.087102 |
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Hu Jie-Qiong, Xie Ming, Zhang Ji-Ming, Liu Man-Men, Yang You-Cai, Chen Yong-Tai.First principles study of Au-Sn intermetallic compounds. Acta Physica Sinica, 2013, 62(24): 247102.doi:10.7498/aps.62.247102 |
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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 |
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Yan Xiao-Zhen, Kuang Xiao-Yu, Mao Ai-Jie, Kuang Fang-Guang, Wang Zhen-Hua, Sheng Xiao-Wei.First-principles study on the elastic, electronic and thermodynamic properties of ErNi2B2C under high pressure. Acta Physica Sinica, 2013, 62(10): 107402.doi:10.7498/aps.62.107402 |
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Zhou Ping, Wang Xin-Qiang, Zhou Mu, Xia Chuan-Hui, Shi Ling-Na, Hu Cheng-Hua.First-principles study of pressure induced phase transition, electronic structure and elastic properties of CdS. Acta Physica Sinica, 2013, 62(8): 087104.doi:10.7498/aps.62.087104 |
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Song Jiu-Xu, Yang Yin-Tang, Guo Li-Xin, Wang Ping, Zhang Zhi-Yong.Investigation on influence of antisite defects on electronic structure and optical properties of silicon carbide nanotube. Acta Physica Sinica, 2012, 61(23): 237301.doi:10.7498/aps.61.237301 |
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Wang Bin, Liu Ying, Ye Jin-Wen.First-principle calculations of elastic, electronic and thermodynamic properties of TiC under high pressure. Acta Physica Sinica, 2012, 61(18): 186501.doi:10.7498/aps.61.186501 |
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Ru Qiang, Hu She-Jun, Zhao Ling-Zhi.First-principles study of the electronic structure and elastic property of Li x FePO4. Acta Physica Sinica, 2011, 60(3): 036301.doi:10.7498/aps.60.036301 |
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Yang Li-Jun, Chen Hai-Chuan.First-principles calculations of electronic structure, optical and elastic properties of LiGaX2(X=S, Se, Te). Acta Physica Sinica, 2011, 60(1): 014207.doi:10.7498/aps.60.014207 |
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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 |
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Xu Hong-Bin, Wang Yuan-Xu.First-principles study of low-compressibility of transition-metal Tc and its nitrides TcN,TcN2,TcN3 and TcN4. Acta Physica Sinica, 2009, 58(8): 5645-5652.doi:10.7498/aps.58.5645 |
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Duan Man-Yi, Xu Ming, Zhou Hai-Ping, Shen Yi-Bin, Chen Qing-Yun, Ding Ying-Chun, Zhu Wen-Jun.First-principles study on the electronic structure and optical properties of ZnO doped with transition metal and N. Acta Physica Sinica, 2007, 56(9): 5359-5365.doi:10.7498/aps.56.5359 |
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