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Wu Hong-Fen, Feng Pan-Jun, Zhang Shuo, Liu Da-Peng, Gao Miao, Yan Xun-Wang.First-principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2022, 71(3): 036801.doi:10.7498/aps.71.20211631 |
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Yang Shun-Jie, Li Chun-Mei, Zhou Jin-Ping.First-principles study of magnetic disordering and alloying effects on phase stability and elastic constants of Co2CrZ(Z= Ga, Si, Ge) alloys. Acta Physica Sinica, 2022, 71(10): 106201.doi:10.7498/aps.71.20212254 |
[3] |
Liang Ting, Wang Yang-Yang, Liu Guo-Hong, Fu Wang-Yang, Wang Huai-Zhang, Chen Jing-Fei.First-principles investigations on gas adsorption properties of V-doped monolayer MoS2. Acta Physica Sinica, 2021, 70(8): 080701.doi:10.7498/aps.70.20202043 |
[4] |
.First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211631 |
[5] |
Liu Zi-Yuan, Pan Jin-Bo, Zhang Yu-Yang, Du Shi-Xuan.First principles calculation of two-dimensional materials at an atomic scale. Acta Physica Sinica, 2021, 70(2): 027301.doi:10.7498/aps.70.20201636 |
[6] |
Wang Yan, Chen Nan-Di, Yang Chen, Zeng Zhao-Yi, Hu Cui-E, Chen Xiang-Rong.Thermoelectric transport properties of two-dimensional materialsXTe2(X= Pd, Pt) via first-principles calculations. Acta Physica Sinica, 2021, 70(11): 116301.doi:10.7498/aps.70.20201939 |
[7] |
Lu Xin, Xie Meng-Lin, Liu Jing, Jin Wei, Li Chun, Georgios Lefkidis, Wolfgang Hübner.First-principles study of ultrafast spin dynamics in FemB20(m= 1, 2) clusters. Acta Physica Sinica, 2021, 70(12): 127505.doi:10.7498/aps.70.20210056 |
[8] |
Li Tian-Jing, Cao Xiu-Xia, Tang Shi-Hui, He Lin, Meng Chuan-Min.Crystal-orientation effects of the optical extinction in shocked Al2O3: a first-principles investigation. Acta Physica Sinica, 2020, 69(4): 046201.doi:10.7498/aps.69.20190955 |
[9] |
Huang Bing-Quan, Zhou Tie-Ge, Wu Dao-Xiong, Zhang Zhao-Fu, Li Bai-Kui.Properties of vacancies and N-doping in monolayer g-ZnO: First-principles calculation and molecular orbital theory analysis. Acta Physica Sinica, 2019, 68(24): 246301.doi:10.7498/aps.68.20191258 |
[10] |
Xiang Yang, Zheng Jun, Li Chun-Lei, Guo Yong.Spin filter effect of germanene nanoribbon controlled by local exchange field and electric field. Acta Physica Sinica, 2019, 68(18): 187302.doi:10.7498/aps.68.20190817 |
[11] |
Zhang Wei, Chen Kai-Bin, Chen Zhen-Dong.First-principles study on Jahn-Teller effect in Cr monolayer film. Acta Physica Sinica, 2018, 67(23): 237301.doi:10.7498/aps.67.20181669 |
[12] |
Zhang Shu-Ting, Sun Zhi, Zhao Lei.First-principles study of graphene nanoflakes with large spin property. Acta Physica Sinica, 2018, 67(18): 187102.doi:10.7498/aps.67.20180867 |
[13] |
Yang Ming-Yu, Yang Qian, Zhang Bo, Zhang Xu, Cai Song, Xue Yu-Long, Zhou Tie-Ge.Electronic structures, magnetic properties and spin-orbital coupling effects of aluminum nitride monolayers doped by 5d transition metal atoms: possible two-dimensional long-range magnetic orders. Acta Physica Sinica, 2017, 66(6): 063102.doi:10.7498/aps.66.063102 |
[14] |
Ye Hong-Jun, Wang Da-Wei, Jiang Zhi-Jun, Cheng Sheng, Wei Xiao-Yong.Ferroelectric phase transition of perovskite SnTiO3 based on the first principles. Acta Physica Sinica, 2016, 65(23): 237101.doi:10.7498/aps.65.237101 |
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Zeng Shao-Long, Li Ling, Xie Zheng-Wei.Tunneling times in double spin-filter junctions. Acta Physica Sinica, 2016, 65(22): 227302.doi:10.7498/aps.65.227302 |
[16] |
Deng Xiao-Qing, Sun Lin, Li Chun-Xian.Spin transport properties for iron-doped zigzag-graphene nanoribbons interface. Acta Physica Sinica, 2016, 65(6): 068503.doi:10.7498/aps.65.068503 |
[17] |
Liu Yue-Ying, Zhou Tie-Ge, Lu Yuan, Zuo Xu.First principles caculations of h-BN monolayer with group IA/IIA elements replacing B as impurities. Acta Physica Sinica, 2012, 61(23): 236301.doi:10.7498/aps.61.236301 |
[18] |
Ming Xing, Fan Hou-Gang, Hu Fang, Wang Chun-Zhong, Meng Xing, Huang Zu-Fei, Chen Gang.First-principles study on the electronic structures of spin-Peierls compound GeCuO3. Acta Physica Sinica, 2008, 57(4): 2368-2373.doi:10.7498/aps.57.2368 |
[19] |
Song Qing-Gong, Jiang En-Yong, Pei Hai-Lin, Kang Jian-Hai, Guo Ying.First principles computational study on the stability of Li ion-vacancy two-dimensional ordered structures in intercalation compounds LixTiS2. Acta Physica Sinica, 2007, 56(8): 4817-4822.doi:10.7498/aps.56.4817 |
[20] |
Sun Bo, Liu Shao-Jun, Duan Su-Qing, Zhu Wen-Jun.First-principles calculations of structures, properties and high pressures effects of Fe. Acta Physica Sinica, 2007, 56(3): 1598-1602.doi:10.7498/aps.56.1598 |