| [1] |
LIN Jianhua, CUI Jiahao, ZHUANG Quan. First-principles study of regulation of electron and hole doping in superconducting ternary hydride CaYH12. Acta Physica Sinica,
2025, 74(13): 137401.
doi: 10.7498/aps.74.20250180
|
| [2] |
LI Pengfei, HAN Lijun, ZHANG Lin, HUI Ningju. First-principles study of modulation of graphene Dirac plasmons. Acta Physica Sinica,
2025, 74(21): 217101.
doi: 10.7498/aps.74.20250913
|
| [3] |
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
|
| [4] |
Chen Guang-Ping, Yang Jin-Ni, Qiao Chang-Bing, Huang Lu-Jun, Yu Jing. First-principles calculations of local structure and electronic properties of Er3+-doped TiO2. Acta Physica Sinica,
2022, 71(24): 246102.
doi: 10.7498/aps.71.20221847
|
| [5] |
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
|
| [6] |
. First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica,
2021, (): .
doi: 10.7498/aps.70.20211631
|
| [7] |
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
|
| [8] |
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
|
| [9] |
Chen Xian, Cheng Mei-Juan, Wu Shun-Qing, Zhu Zi-Zhong. First-principle study of structure stability and electronic structures of graphyne derivatives. Acta Physica Sinica,
2017, 66(10): 107102.
doi: 10.7498/aps.66.107102
|
| [10] |
Chen Jia-Hua, Liu En-Ke, Li Yong, Qi Xin, Liu Guo-Dong, Luo Hong-Zhi, Wang Wen-Hong, Wu Guang-Heng. First-principles investigations on tetragonal distortion, electronic structure, magnetism, and phonon dispersion of Ga2XCr (X = Mn, Fe, Co, Ni, Cu) Heusler alloys. Acta Physica Sinica,
2015, 64(7): 077104.
doi: 10.7498/aps.64.077104
|
| [11] |
Deng Jiao-Jiao, Liu Bo, Gu Mu, Liu Xiao-Lin, Huang Shi-Ming, Ni Chen. First principles calculation of electronic structures and optical properties for -CuX(X = Cl, Br, I). Acta Physica Sinica,
2012, 61(3): 036105.
doi: 10.7498/aps.61.036105
|
| [12] |
Yu Dong-Qi, Zhang Zhao-Hui. First principles calculations of interaction between an armchair-edge graphene nanoribbon and its graphite substrate. Acta Physica Sinica,
2011, 60(3): 036104.
doi: 10.7498/aps.60.036104
|
| [13] |
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.
doi: 10.7498/aps.59.515
|
| [14] |
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
|
| [15] |
Yang Tian-Xing, Cheng Qiang, Xu Hong-Bin, Wang Yuan-Xu. First-principles study of elastic and electronic properties of several ternary transition-metal carbides. Acta Physica Sinica,
2010, 59(7): 4919-4924.
doi: 10.7498/aps.59.4919
|
| [16] |
Lü Quan, Huang Wei-Qi, Wang Xiao-Yun, Meng Xiang-Xiang. The first-principle calculations and analysis on density of states of silion plane (111) formed by nitrogen film. Acta Physica Sinica,
2010, 59(11): 7880-7884.
doi: 10.7498/aps.59.7880
|
| [17] |
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
|
| [18] |
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
|
| [19] |
Huang Dan, Shao Yuan-Zhi, Chen Di-Hu, Guo Jin, Li Guang-Xu. First-principles calculation on the electronic structure and absorption spectrum of the wurtzite Zn1-xMgxO alloys. Acta Physica Sinica,
2008, 57(2): 1078-1083.
doi: 10.7498/aps.57.1078
|
| [20] |
Sun Bo, Liu Shao-Jun, Zhu Wen-Jun. The division of iron's core and valence states under high pressures via first-principles calculation. Acta Physica Sinica,
2006, 55(12): 6589-6594.
doi: 10.7498/aps.55.6589
|