[1] |
Li Qiao-Li, Li Shen-Shen, Xiao Ji-Jun, Chen Zhao-Xu.First-principles study on the structure and stability of (H2dabco)[K(ClO4)3] under hydrostatic pressure. Acta Physica Sinica, 2024, 73(14): 143101.doi:10.7498/aps.73.20240477 |
[2] |
Zhai Shun-Cheng, Guo Ping, Zheng Ji-Ming, Zhao Pu-Ju, Suo Bing-Bing, Wan Yun.First principle study of electronic structures and optical absorption properties of O and S doped graphite phase carbon nitride (g-C3N4)6 quantum dots. Acta Physica Sinica, 2017, 66(18): 187102.doi:10.7498/aps.66.187102 |
[3] |
Xue Bin, Wang Hong-Yang, Qin Meng, Cao Yi, Wang Wei.A photocatalysis system based on composite nanostructures of controlable peptide nanotubes and graphene. Acta Physica Sinica, 2015, 64(9): 098702.doi:10.7498/aps.64.098702 |
[4] |
Wu Hai-Ping, Chen Dong-Guo, Huang De-Cai, Deng Kai-Ming.Electronic and magnetic properties of SrCoO3:the first principles study. Acta Physica Sinica, 2012, 61(3): 037101.doi:10.7498/aps.61.037101 |
[5] |
Zhang Bei, Bao An, Chen Chu, Zhang Jun.Density-functional theory study of ConCm (n=15, m=1,2) clusters. Acta Physica Sinica, 2012, 61(15): 153601.doi:10.7498/aps.61.153601 |
[6] |
Yuan Jian-Mei, Hao Wen-Ping, Li Shun-Hui, Mao Yu-Liang.Density functional study on the adsorption of C atoms on Ni (111) surface. Acta Physica Sinica, 2012, 61(8): 087301.doi:10.7498/aps.61.087301 |
[7] |
Tang Chun-Mei, Guo Wei, Zhu Wei-Hua, Liu Ming-Yi, Zhang Ai-Mei, Gong Jiang-Feng, Wang Hui.Density functional calculations of geomatric structure, electronic structure, stability, and magnetic properties of transitional atom endohedral unclassical fullerene M@C22(M=Sc,Ti, V, Cr, Mn, Fe, Co and Ni). Acta Physica Sinica, 2012, 61(2): 026101.doi:10.7498/aps.61.026101 |
[8] |
Cao Qing-Song, Yuan Yong-Bo, Xiao Chuan-Yun, Lu Rui-Feng, Kan Er-Jun, Deng Kai-Ming.Density functional study on the geometric and electronic properties of C80H80. Acta Physica Sinica, 2012, 61(10): 106101.doi:10.7498/aps.61.106101 |
[9] |
Guo Zhao, Lu Bin, Jiang Xue, Zhao Ji-Jun.Structural, electronic, and optical properties of Li-n-1, Lin and Li+ n+1(n=20, 40) clusters by first-principles calculations. Acta Physica Sinica, 2011, 60(1): 013601.doi:10.7498/aps.60.013601 |
[10] |
Zhang Zhi-Long, Chen Yu-Hong, Ren Bao-Xing, Zhang Cai-Rong, Du Rui, Wang Wei-Chao.Density functional theory study on the structure and properties of (HMgN3)n(n=15) clusters. Acta Physica Sinica, 2011, 60(12): 123601.doi:10.7498/aps.60.123601 |
[11] |
Gu Juan, Wang Shan-Ying, Gou Bing-Cong.The geometrical structure, electronic structure and magnetism of bimetallic AunM2 (n=1,2; M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni) clusters. Acta Physica Sinica, 2009, 58(5): 3338-3351.doi:10.7498/aps.58.3338 |
[12] |
Chen Liang, Xu Can, Zhang Xiao-Fang.Electronic properties of MgO nanotube clusters studied with density functional theory. Acta Physica Sinica, 2009, 58(3): 1603-1607.doi:10.7498/aps.58.1603 |
[13] |
Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Pu Zhong-Sheng.Density functional theory study of the structures and properties of (Li3N)n(n=1—5) clusters. Acta Physica Sinica, 2008, 57(7): 4174-4181.doi:10.7498/aps.57.4174 |
[14] |
Zhu Ying-Tao, Yang Chuan-Lu, Wang Mei-Shan, Dong Yong-Mian.First-principles calculations on the electrical structures and vibration frequencies of β-Si3N4. Acta Physica Sinica, 2008, 57(2): 1048-1053.doi:10.7498/aps.57.1048 |
[15] |
Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Yuan Li-Hua, Li Yan-Long.Density functional theory study on the structures and properties of (Ca3N2)n(n=1—4) clusters. Acta Physica Sinica, 2008, 57(10): 6265-6270.doi:10.7498/aps.57.6265 |
[16] |
Cui Yong-Feng, Yuan Zhi-Hao.Structural phase transformation and optical absorption of capped TiO2 nanoparticles. Acta Physica Sinica, 2006, 55(10): 5172-5177.doi:10.7498/aps.55.5172 |
[17] |
Zhang Yong, Tang Chao-Qun, Dai Jun.Ab inition studies on the electric and optical properties of Rb2TeW3O12. Acta Physica Sinica, 2005, 54(2): 868-874.doi:10.7498/aps.54.868 |
[18] |
Qin Hua, Fu Ru-Lian, Gao Hong-Yun, Liu Juan, Shi Xin-Gang.Theoretical study of the pump light absorption inside a three-level solid state laser medium. Acta Physica Sinica, 2005, 54(4): 1587-1592.doi:10.7498/aps.54.1587 |
[19] |
Tan Ming-Qiu, Tao Xiang-Ming, Xu Xiao-Jun, Cai Jian-Qiu.Density functional theory study on the electronic structure of UAl3 a nd USn3. Acta Physica Sinica, 2003, 52(12): 3142-3149.doi:10.7498/aps.52.3142 |
[20] |
WANG YIN-HAI, MO JI-MEI, CAI WEI-LI, XU YAN-QI.NANO-Cu/Al2O3 ASSEMBLIES TEMPLATE SYNTHESIS AND OPTICAL ABSORPTION. Acta Physica Sinica, 2001, 50(9): 1751-1755.doi:10.7498/aps.50.1751 |