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Zhang Ying-Nan, Zhang Min, Zhang Pai, Hu Wen-Bo.Investigation of electronic structure and optoelectronic properties of Si-dopedβ-Ga2O3using GGA+Umethod based on first-principle. Acta Physica Sinica, 2024, 73(1): 017102.doi:10.7498/aps.73.20231147 |
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Liu Qi, Guan Peng-Fei.First principle study on atomic structure of La65X35(X=Ni, Al) metallic glasses. Acta Physica Sinica, 2018, 67(17): 178101.doi:10.7498/aps.67.20180992 |
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Cheng Chao, Wang Xun, Sun Jia-Xing, Cao Chao-Ming, Ma Yun-Li, Liu Yan-Xia.Electronic structure calculation of Cr content effect on corrosion resistance of Ti-Nb-Cr alloy. Acta Physica Sinica, 2018, 67(19): 197101.doi:10.7498/aps.67.20180956 |
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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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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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Zhang Guo-Lian, Lu Yao, Jiang Lei, Wang Zhe, Zhang Chang-Wen, Wang Pei-Ji.First-principle study on optoelectronic and magnetic properties of Sn(O1-xNx)2. Acta Physica Sinica, 2012, 61(11): 117101.doi:10.7498/aps.61.117101 |
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Sun Wei-Feng, Zheng Xiao-Xia.First-principles study of (InAs)1/(GaSb)1 superlattice nanowires. Acta Physica Sinica, 2012, 61(11): 117103.doi:10.7498/aps.61.117103 |
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Sun Wei-Feng.First-principles study of (InAs)1/(GaSb)1 superlattice atomic chains. Acta Physica Sinica, 2012, 61(11): 117104.doi:10.7498/aps.61.117104 |
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Sun Wei-Feng, Zheng Xiao-Xia.First-principles study of interface relaxation effects on interface structure, band structure and optical property of InAs/GaSb superlattices. Acta Physica Sinica, 2012, 61(11): 117301.doi:10.7498/aps.61.117301 |
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Zhang Zhen-Duo, Hou Qing-Yu, Li Cong, Zhao Chun-Wang.First-principles study of the electronic structure and absorption spectrum of heavily Nd-doped anatase TiO2. Acta Physica Sinica, 2012, 61(11): 117102.doi:10.7498/aps.61.117102 |
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Deng Yong-He, Liu Jing-Shuo.Formation abilities and electronic properties of Mg-TM-H (TM = Sc, Ti, V, Y, Zr, Nb) crystal. Acta Physica Sinica, 2011, 60(11): 117102.doi:10.7498/aps.60.117102 |
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Wang Ying-Long, Wang Xiu-Li, Liang Wei-Hua, Guo Jian-Xin, Ding Xue-Cheng, Chu Li-Zhi, Deng Ze-Chao, Fu Guang-Sheng.First principles study of electronic and optical properties of Er-doped silicon nanoparticles with different densities. Acta Physica Sinica, 2011, 60(12): 127302.doi:10.7498/aps.60.127302 |
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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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Ji Zheng-Hua, Zeng Xiang-Hua, Cen Jie-Ping, Tan Ming-Qiu.Electronic structure and phase transformation in ZnSe: An ab initio study. Acta Physica Sinica, 2010, 59(2): 1219-1224.doi:10.7498/aps.59.1219 |
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Ouyang Fang-Ping, Xu Hui, Wei Chen.First-principles study of electronic structure and transport properties of zigzag graphene nanoribbons. Acta Physica Sinica, 2008, 57(2): 1073-1077.doi:10.7498/aps.57.1073 |
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Zhu Ying-Tao, Yang Chuan-Lu, Wang Mei-Shan, Dong Yong-Mian.First-principles calculations on the electrical structures and vibration frequencies of β-Si3N4. Acta Physica Sinica, 2008, 57(2): 1048-1053.doi:10.7498/aps.57.1048 |
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Qiu An-Ning, Zhang Lan-Ting, Wu Jian-Sheng.First principles study of the electronic structure of ReSi1.75. Acta Physica Sinica, 2007, 56(8): 4891-4895.doi:10.7498/aps.56.4891 |
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Pan Hong-Zhe, Xu Ming, Zhu Wen-Jun, Zhou Hai-Ping.First-principles study on the electrical structures and optical properties of β-Si3N4. Acta Physica Sinica, 2006, 55(7): 3585-3589.doi:10.7498/aps.55.3585 |
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Xu Xiao-Guang, Wang Chun-Zhong, Liu Wei, Meng Xing, Sun Yuan, Chen Gang.Ab initio study of the effects of Mg doping on electronic structure of Li(Co , Al)O2. Acta Physica Sinica, 2005, 54(1): 313-316.doi:10.7498/aps.54.313 |
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Xu Xiao-Guang, Wei Ying-Jin, Meng Xing, Wang Chun-Zhong, Huang Zu-Fei, Chen Gang.Ab initio study of the effects of Mg, Al dopingon the electronic structure of LiCoO2. Acta Physica Sinica, 2004, 53(1): 210-213.doi:10.7498/aps.53.210 |
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