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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.
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Jiang Fu-Shi, Wang Wei-Hua, Li Hong-Ming, Wang Qing, Dong Chuang. First-principles calculations of Ni-Al-Cr alloys using cluster-plus-glue-atom model. Acta Physica Sinica,
2022, 71(20): 207101.
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Luan Li-Jun, He Yi, Wang Tao, Liu Zong-Wen. First-principles study of e interface interaction and photoelectric properties of the solar cell heterojunction CdS/CdMnTe. Acta Physica Sinica,
2021, 70(16): 166302.
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Zhu Ping, Zhang Qiang, Gou Hua-Song, Wang Ping-Ping, Shao Pu-Zhen, Kobayashi Equo, Wu Gao-Hui. First-principles calculation of diamond/Al interface properties and study of interface reaction. Acta Physica Sinica,
2021, 70(17): 178101.
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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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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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Chen Yan-Li, Peng Xiang-Yang, Yang Hong, Chang Sheng-Li, Zhang Kai-Wang, Zhong Jian-Xin. Stacking effects in topological insulator Bi2Se3：a first-principles study. Acta Physica Sinica,
2014, 63(18): 187303.
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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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Linghu Jia-Jun, Liang Gong-Ying. First-principles study on the luminescence property of In-doped ZnTe. Acta Physica Sinica,
2013, 62(10): 103102.
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Yang Li-Jian, Liu Bin, Gao Song-Wei, Chen Li-Jia. First-principles caculation and experimental study of metal magnetic memory effects. Acta Physica Sinica,
2013, 62(8): 086201.
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Peng Li-Ping, Xia Zheng-Cai, Yang Chang-Quan. First-principles calculation of matal and nonmetal codoped anantase TiO2. Acta Physica Sinica,
2012, 61(12): 127104.
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Li Zhi-Min, Shi Jian-Zhang, Wei Xiao-Hei, Li Pei-Xian, Huang Yun-Xia, Li Gui-Fang, Hao Yue. First principles calculation of electronic structure for Al-doped 3C-SiC and its microwave dielectric properties. Acta Physica Sinica,
2012, 61(23): 237103.
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Rao Jian-Ping, Ouyang Chu-Ying, Lei Min-Sheng, Jiang Feng-Yi. First principles investigation of interaction between interstitials H atom and Nb metal. Acta Physica Sinica,
2012, 61(4): 047105.
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Wang Ru-Zhi, Xu Li-Chun, Yan Hui, Kohyama Masanori. First-principles predictions for the tensile strength of Al metal with dislocations of twist grain boundaries. Acta Physica Sinica,
2012, 61(2): 026801.
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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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Gao Tan-Hua, Lu Dao-Ming, Wu Shun-Qing, Zhu Zi-Zhong. First-principles calculations of magnetism of Fe atomic sheet. Acta Physica Sinica,
2011, 60(4): 047502.
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Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai. Effect of Nb on electronic structure of NiTi intermetallic compound: A first-principles study. Acta Physica Sinica,
2010, 59(1): 515-520.
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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.
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Li Yong-Hua, Xu Peng-Shou, Pan Hai-Bin, Xu Fa-Qiang, Xie Chang-Kun. First-principle study on GaN(1010) surface structure. Acta Physica Sinica,
2005, 54(1): 317-322.
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LI QUN-XIANG, YANG JIN-LONG, LI ZHEN-YU, HOU JIAN-GUO, ZHU QING-SHI. A FIRST-PRINCIPLES STUDY ON THE ELECTRONIC STRUCTURE OF THE FIRST TRANSITION METAL PHTHALOCYANINES. Acta Physica Sinica,
2001, 50(10): 1877-1883.
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