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Wu Yu-Yang, Li Wei, Ren Qing-Ying, Li Jin-Ze, Xu Wei, Xu Jie. First-principles study on adsorption of gas molecules by metal Sc modified Ti2CO2. Acta Physica Sinica,
2024, 73(7): 073101.
doi: 10.7498/aps.73.20231432
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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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Wang Lan, Cheng Si-Yuan, Zeng Hang-Hang, Xie Cong-Wei, Gong Yuan-Hao, Zheng Zhi, Fan Xiao-Li. Structure prediction of CuBiI ternary compound and first-principles study of photoelectric properties. Acta Physica Sinica,
2021, 70(20): 207305.
doi: 10.7498/aps.70.20210145
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Chen Guo-Xiang, Fan Xiao-Bo, Li Si-Qi, Zhang Jian-Min. First-principles study of magnetic properties of alkali metals and alkaline earth metals doped two-dimensional GaN materials. Acta Physica Sinica,
2019, 68(23): 237303.
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Yao Zhong-Yu, Sun Li, Pan Meng-Mei, Sun Shu-Juan, Liu Han-Jun. First-principles study on half-metallic ferromagnetism of half-Heusler alloys VLiBi and CrLiBi. Acta Physica Sinica,
2018, 67(21): 217501.
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Yao Zhong-Yu, Sun Li, Pan Meng-Mei, Sun Shu-Juan. First-principle studies of half-metallicities and magnetisms of the semi-Heusler alloys CoCrTe and CoCrSb. Acta Physica Sinica,
2016, 65(12): 127501.
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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.
doi: 10.7498/aps.64.026602
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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.
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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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Lin Ling, Zhu Jia-Jie, Fang Hong. First-principles study on cation-doped Lu2Si2O7. Acta Physica Sinica,
2013, 62(14): 147101.
doi: 10.7498/aps.62.147101
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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.
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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.
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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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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.
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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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Liu Chun-Hua, Ouyang Chu-Ying, Ji Ying-Hua. First principles investigation of electronic structuresand stabilities of Mg2Ni and its complex hydrides. Acta Physica Sinica,
2011, 60(7): 077103.
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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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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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Liu Zhi-Ming, Cui Tian, Ma Yan-Ming, Liu Bing-Bing, Zou Guang-Tian. Interactions in Nb2H and its electronic structure. Acta Physica Sinica,
2007, 56(8): 4877-4883.
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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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