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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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Ma Zhen-Ning, Zhou Quan, Wang Qing-Jie, Wang Xun, Wang Lei.First-principles study of the thermodynamic stabilities and electronic structures of long-period stacking ordered phases in Mg-Y-Cu alloys. Acta Physica Sinica, 2016, 65(23): 236101.doi:10.7498/aps.65.236101 |
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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 |
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Shao Dong-Yuan, Hui Qun, Li Xiao, Chen Jing-Jing, Li Chun-Mei, Cheng Nan-Pu.First-principles study on the elastic and thermal properties of Ca0.5Sr0.5TiO3. Acta Physica Sinica, 2015, 64(20): 207102.doi:10.7498/aps.64.207102 |
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Zhai Dong, Wei Zhao, Feng Zhi-Fang, Shao Xiao-Hong, Zhang Ping.Properties of Cu1-xWx alloys at high pressure and high temperature from first-principles calculations. Acta Physica Sinica, 2014, 63(20): 206501.doi:10.7498/aps.63.206501 |
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Cheng He-Ping, Dan Jia-Kun, Huang Zhi-Meng, Peng Hui, Chen Guang-Hua.First-principles study on the electronic structure and optical properties of RDX. Acta Physica Sinica, 2013, 62(16): 163102.doi:10.7498/aps.62.163102 |
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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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Guan Dong-Bo, Mao Jian.First principles study of the electronic structure and optical properties of Magnli phase titanium suboxides Ti8O15. Acta Physica Sinica, 2012, 61(1): 017102.doi:10.7498/aps.61.017102 |
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Wang Yin, Feng Qing, Wang Wei-Hua, Yue Yuan-Xia.First-principles study on the electronic and optical property of C-Zn co-doped anatase TiO2. Acta Physica Sinica, 2012, 61(19): 193102.doi:10.7498/aps.61.193102 |
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Li Cong, Hou Qing-Yu, Zhang Zhen-Duo, Zhao Chun-Wang, Zhang Bing.First-principles study on the electronic structures and absorption spectra of Sm-N codoped anatase TiO2. Acta Physica Sinica, 2012, 61(16): 167103.doi:10.7498/aps.61.167103 |
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Yang Ze-Jin, Linghu Rong-Feng, Cheng Xin-Lu, Yang Xiang-Dong.First-principles investigations on the electronic, elastic and thermodynamic properties of Cr2MC(M=Al, Ga). Acta Physica Sinica, 2012, 61(4): 046301.doi:10.7498/aps.61.046301 |
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Yu Ben-Hai, Chen Dong.First-principles study on the electronic structure and phase transition of α-, β- and γ-Si3N4. Acta Physica Sinica, 2012, 61(19): 197102.doi:10.7498/aps.61.197102 |
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Zhao Rong-Da, Zhu Jing-Chuan, Liu Yong, Lai Zhong-Hong.First-principles study of FeAl(B2) microalloyed with La, Ac, Sc and Y. Acta Physica Sinica, 2012, 61(13): 137102.doi:10.7498/aps.61.137102 |
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Fan Kai-Min, Yang Li, Peng Shu-Ming, Long Xing-Gui, Wu Zhong-Cheng, Zu Xiao-Tao.First-principles calculation for elastic constantsof α-ScDx(D=H, He). Acta Physica Sinica, 2011, 60(7): 076201.doi:10.7498/aps.60.076201 |
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Yu Ben-Hai, Liu Mo-Lin, Chen Dong.First principles study of structural, electronic and elastic properties of Mg2 Si polymorphs. Acta Physica Sinica, 2011, 60(8): 087105.doi:10.7498/aps.60.087105 |
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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 |
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Li Xiao-Feng, Ji Guang-Fu, Peng Wei-Min, Shen Xiao-Meng, Zhao Feng.Elastic constants, electronic structure and optical properties of solid krypton under pressure by first-principles calculations. Acta Physica Sinica, 2009, 58(4): 2660-2666.doi:10.7498/aps.58.2660 |
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Liu Na-Na, Song Ren-Bo, Sun Han-Ying, Du Da-Wei.The electronic structure and thermodynamic properties of Mg2Sn from first-principles calculations. Acta Physica Sinica, 2008, 57(11): 7145-7150.doi:10.7498/aps.57.7145 |
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Zhou Jing-Jing, Gao Tao, Zhang Chuan-Yu, Zhang Yun-Guang.First-principles study on the microarrangement of Al and structure and elasticity of LaNi3.75Al1.25. Acta Physica Sinica, 2007, 56(4): 2311-2317.doi:10.7498/aps.56.2311 |
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