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Huang Sheng-Xing, Chen Jian, Wang Wen-Fei, Wang Xu-Dong, Yao Man. First principle calculation of thermoelectric transport performances of new dual transition metal MXene. Acta Physica Sinica,
2024, 73(14): 146301.
doi: 10.7498/aps.73.20240432
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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 Xue-Lan, Luo Yang, Zhao Ruo-Xi, Hu Yan-Min, Song Qing-Gong. First-principles studies of multiple trapped impurity C by Ni vacancy and temperature effects in NiAl intermetallics. Acta Physica Sinica,
2016, 65(20): 206101.
doi: 10.7498/aps.65.206101
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Wan Ming-Jun, Li Chun-Fu, Wen Ping, Zhang Feng-Chun, Wang Yao, Liu En-Zuo. The bond characters and phase stability effects of Cr Mo and Ni in bulk -Fe(C. Acta Physica Sinica,
2016, 65(3): 037101.
doi: 10.7498/aps.65.037101
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Yang Biao, Wang Li-Ge, Yi Yong, Wang En-Ze, Peng Li-Xia. First-principles calculations of the diffusion behaviors of C, N and O atoms in V metal. Acta Physica Sinica,
2015, 64(2): 026602.
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Huang Yan-Ping, Yuan Jian-Mei, Guo Gang, Mao Yu-Liang. First-principles study on saturated adsorption of alkali metal atoms on silicene. Acta Physica Sinica,
2015, 64(1): 013101.
doi: 10.7498/aps.64.013101
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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.
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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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Liao Jian, Xie Zhao-Qi, Yuan Jian-Mei, Huang Yan-Ping, Mao Yu-Liang. First-principles study of 3d transition metal Co doped core-shell silicon nanowires. Acta Physica Sinica,
2014, 63(16): 163101.
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Wen Ping, Li Chun-Fu, Zhao Yi, Zhang Feng-Chun, Tong Li-Hua. First principles calculation of occupancy, bonding characteristics and alloying effect of Cr, Mo, Ni in bulk α-Fe?. Acta Physica Sinica,
2014, 63(19): 197101.
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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.
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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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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
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Xue Jin-Xiang, Zhang Ri-Guang, Liu Yan-Ping, Wang Bao-Jun. The Alloying of Ti, C, N in Bulk -Fe and Their Effects on Bond Characters. Acta Physica Sinica,
2012, 61(12): 127101.
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Nie Zhao-Xiu, Wang Feng, Cheng Zhi-Mei, Wang Xin-Qiang, Lu Li-Ya, Liu Gao-Bin, Duan Zhuang-Fen. First-principles study on electronic structure and half-metallicferromagnetism of ternary compound ZnCrS. Acta Physica Sinica,
2011, 60(9): 096301.
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Nie Zhao-Xiu, Wang Feng, Cheng Zhi-Mei, Liu Gao-Bin, Wang Xin-Qiang. First principles study on half-metallic ferromagnetismof ternary compounds ZnVSe. Acta Physica Sinica,
2011, 60(4): 046301.
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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.
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Zhao Zong-Yan, Liu Qing-Ju, Zhang Jin, Zhu Zhong-Qi. First-principles study of 3d transition metal-doped anatase. Acta Physica Sinica,
2007, 56(11): 6592-6599.
doi: 10.7498/aps.56.6592
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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.
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Yao Hong-Ying, Gu Xiao, Ji Min, Zhang Di-Er, Gong Xin-Gao. First-principles study of metal atoms adsorbed on SiO2 surface. Acta Physica Sinica,
2006, 55(11): 6042-6046.
doi: 10.7498/aps.55.6042
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