[1] |
Lu Kang-Jun, Wang Yi-Fan, Xia Qian, Zhang Gui-Tao, Chen Qian. Structural phase transition induced enhancement of carrier mobility of monolayer RuSe2. Acta Physica Sinica,
2024, 73(14): 146302.
doi: 10.7498/aps.73.20240557
|
[2] |
Shi Xiao-Hong, Hou Bin-Peng, Li Zhi-Shuo, Chen Jing-Jin, Shi Xiao-Wen, Zhu Zi-Zhong. Formation of oxygen vacancy clusters in Li-rich Mn-based cathode Materials of lithium-ion batteries: First-principles calculations. Acta Physica Sinica,
2023, 72(7): 078201.
doi: 10.7498/aps.72.20222300
|
[3] |
Yu Yue, Yang Heng-Yu, Zhou Wu-Xing, Ouyang Tao, Xie Guo-Feng. First-principles study of thermoelectric performance of monolayer Ge2X4S2 (X = P, As). Acta Physica Sinica,
2023, 72(7): 077201.
doi: 10.7498/aps.72.20222244
|
[4] |
Yang Hai-Lin, Chen Qi-Li, Gu Xing, Lin Ning. First-principles calculations of O-atom diffusion on fluorinated graphene. Acta Physica Sinica,
2023, 72(1): 016801.
doi: 10.7498/aps.72.20221630
|
[5] |
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
|
[6] |
Hu Qian-Ku, Hou Yi-Ming, Wu Qing-Hua, Qin Shuang-Hong, Wang Li-Bo, Zhou Ai-Guo. Theoretical calculations of stabilities and properties of transition metal borocarbides TM3B3C and TM4B3C2 compound. Acta Physica Sinica,
2019, 68(9): 096201.
doi: 10.7498/aps.68.20190158
|
[7] |
Jiao Zhao-Yong, Guo Yong-Liang, Niu Yi-Jun, Zhang Xian-Zhou. The first principle study of electronic and optical properties of defect chalcopyrite XGa2S4 (X=Zn, Cd, Hg). Acta Physica Sinica,
2013, 62(7): 073101.
doi: 10.7498/aps.62.073101
|
[8] |
Li Xue-Mei, Han Hui-Lei, He Guang-Pu. Lattice dynamical, dielectric and thermodynamic properties of LiNH2 from first principles. Acta Physica Sinica,
2011, 60(8): 087104.
doi: 10.7498/aps.60.087104
|
[9] |
Li Rong, Luo Xiao-Ling, Liang Guo-Ming, Fu Wen-Sheng. First-principles study of influence of dopants Fe on the dehydrogenation properties of VH2. Acta Physica Sinica,
2011, 60(11): 117105.
doi: 10.7498/aps.60.117105
|
[10] |
Zhang Xue-Jun, Gao Pan, Liu Qing-Ju. First-principles study on electronic structure and optical properties of anatase TiO2 codoped with nitrogen and iron. Acta Physica Sinica,
2010, 59(7): 4930-4938.
doi: 10.7498/aps.59.4930
|
[11] |
Li Pei-Juan, Zhou Wei-Wei, Tang Yuan-Hao, Zhang Hua, Shi Si-Qi. Electronic structure,optical and lattice dynamical properties of CeO2:A first-principles study. Acta Physica Sinica,
2010, 59(5): 3426-3431.
doi: 10.7498/aps.59.3426
|
[12] |
Tan Xing-Yi, Jin Ke-Xin, Chen Chang-Le, Zhou Chao-Chao. Electronic structure of YFe2B2by first-principles calculation. Acta Physica Sinica,
2010, 59(5): 3414-3417.
doi: 10.7498/aps.59.3414
|
[13] |
Hu Fang, Ming Xing, Fan Hou-Gang, Chen Gang, Wang Chun-Zhong, Wei Ying-Jin, Huang Zu-Fei. First-principles study on the electronic structures of the ladder compound NaV2O4F. Acta Physica Sinica,
2009, 58(2): 1173-1178.
doi: 10.7498/aps.58.1173
|
[14] |
Liu Li-Hua, Zhang Ying, Lü Guang-Hong, Deng Sheng-Hua, Wang Tian-Min. First-principles study of the effects of Sr segregated on Al grain boundary. Acta Physica Sinica,
2008, 57(7): 4428-4433.
doi: 10.7498/aps.57.4428
|
[15] |
Song Qing-Gong, Wang Yan-Feng, Song Qing-Long, Kang Jian-Hai, Chu Yong. First-principle study on the electronic structures of intercalation compound Ag1/4TiSe2. Acta Physica Sinica,
2008, 57(12): 7827-7832.
doi: 10.7498/aps.57.7827
|
[16] |
Hou Qing-Yu, Zhang Yue, Chen Yue, Shang Jia-Xiang, Gu Jing-Hua. Effects of the concentration of oxygen vacancy of anatase on electric conducting performance studied by frist principles calculations. Acta Physica Sinica,
2008, 57(1): 438-442.
doi: 10.7498/aps.57.438
|
[17] |
Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai. Effect of Nb doping on electronic structure of TiO2/NiTi interface: A first-principle study. Acta Physica Sinica,
2008, 57(12): 7794-7799.
doi: 10.7498/aps.57.7794
|
[18] |
Song Qing-Gong, Jiang En-Yong, Kang Jian-Hai. Staging effects on the structural and energetic properties of fast ionic conductor LixTiS2. Acta Physica Sinica,
2008, 57(5): 3093-3099.
doi: 10.7498/aps.57.3093
|
[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] |
Gong Chang-Wei, Wang Yi-Nong, Yang Da-Zhi. Ab initio study of the martensitic transformation of NiTi shape memory alloys. Acta Physica Sinica,
2006, 55(6): 2877-2881.
doi: 10.7498/aps.55.2877
|