[1] |
Luo Qiang, Yang Heng, Guo Ping, Zhao Jian-Fei.Density functional theory calculation of structure and electronic properties in N-methane hydrate. Acta Physica Sinica, 2019, 68(16): 169101.doi:10.7498/aps.68.20182230 |
[2] |
Song Qing-Gong, Zhao Jun-Pu, Gu Wei-Feng, Zhen Dan-Dan, Guo Yan-Rui, Li Ze-Peng.Ductile and electronic properties of La-doped gamma-TiAl systems based on density functional theory. Acta Physica Sinica, 2017, 66(6): 066103.doi:10.7498/aps.66.066103 |
[3] |
Yang Zhen-Qing, Bai Xiao-Hui, Shao Chang-Jin.Density functional theory studies of (TiO2)12 quantum ring and its electronic properties when doped with transition metal compounds. Acta Physica Sinica, 2015, 64(7): 077102.doi:10.7498/aps.64.077102 |
[4] |
Yu Ben-Hai, Chen Dong.Phase transition, electronic and optical properties of Si3N4 new phases at high pressure with density functional theory. Acta Physica Sinica, 2014, 63(4): 047101.doi:10.7498/aps.63.047101 |
[5] |
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 |
[6] |
Ge Gui-Xian, Jing Qun, Cao Hai-Bin, Yang Zeng-Qiang, Tang Guang-Hui, Yan Hong-Xia.The study on structures and properties of Run and Run Au(n=112) clusters by density functional theory. Acta Physica Sinica, 2011, 60(10): 103102.doi:10.7498/aps.60.103102 |
[7] |
Jin Rong, Chen Xiao-Hong.Structure and properties of ZrnPd clusters by density-functional theory. Acta Physica Sinica, 2010, 59(10): 6955-6962.doi:10.7498/aps.59.6955 |
[8] |
Li Xi-Bo, Wang Hong-Yan, Luo Jiang-Shan, Wu Wei-Dong, Tang Yong-Jian.Density functional theory study of the geometry, stability and electronic properties of ScnO(n=1—9) clusters. Acta Physica Sinica, 2009, 58(9): 6134-6140.doi:10.7498/aps.58.6134 |
[9] |
Tang Chun-Mei, Zhu Wei-Hua, Deng Kai-Ming.The structural and electronic properties of the unconventional exohedral fullerene C64Si. Acta Physica Sinica, 2009, 58(5): 3370-3376.doi:10.7498/aps.58.3370 |
[10] |
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 |
[11] |
Li Xi-Bo, Luo Jiang-Shan, Guo Yun-Dong, Wu Wei-Dong, Wang Hong-Yan, Tang Yong-Jian.Density functional theory study of the stability, electronic and magnetic properties of Scn, Yn and Lan (n=2—10) clusters. Acta Physica Sinica, 2008, 57(8): 4857-4865.doi:10.7498/aps.57.4857 |
[12] |
Lei Xue-Ling, Zhu Heng-Jiang, Ge Gui-Xian, Wang Xian-Ming, Luo You-Hua.Structures and magnetism of BnNi(n=6—12) clusters from density-functional theory. Acta Physica Sinica, 2008, 57(9): 5491-5499.doi:10.7498/aps.57.5491 |
[13] |
Ren Feng-Zhu, Wang Yuan-Xu, Tian Fu-Yang, Zhao Wen-Jie, Luo You-Hua.Density-functional study of ZrnCo(n=1—13) cluster structers and their magnetism. Acta Physica Sinica, 2008, 57(4): 2165-2173.doi:10.7498/aps.57.2165 |
[14] |
Ge Gui-Xian, Luo You-Hua.Density functional theory study of the structure and electronic properties of MgnOn(n=2—8) clusters. Acta Physica Sinica, 2008, 57(8): 4851-4856.doi:10.7498/aps.57.4851 |
[15] |
Ma Chen-Yan, Cui Ming-Qi, Zhang Ling-Yun, Wu Xiang, Zhou Ke-Jin, Wu Zi-Yu, Chen Xing, Zhao Yi-Dong, Zheng Lei.X-ray absorption near-edge structure spectroscopy research on electronic structures and magnetic properties of (Fe1-xNix)2P. Acta Physica Sinica, 2008, 57(6): 3868-3874.doi:10.7498/aps.57.3868 |
[16] |
Wang Qing-Lin, Ge Gui-Xian, Zhao Wen-Jie, Lei Xue-Ling, Yan Yu-Li, Yang Zhi, Luo You-Hua.Density functional theory study on the structure and properties of CoBen(n=1—12) clusters. Acta Physica Sinica, 2007, 56(6): 3219-3226.doi:10.7498/aps.56.3219 |
[17] |
Lei Xue-Ling, Wang Qing-Lin, Yan Yu-Li, Zhao Wen-Jie, Yang Zhi, Luo You-Hua.Structures and magnetism of small BnNi(n≤5) clusters. Acta Physica Sinica, 2007, 56(8): 4484-4490.doi:10.7498/aps.56.4484 |
[18] |
Zhao Wen-Jie, Yang Zhi, Yan Yu-Li, Lei Xue-Ling, Ge Gui-Xian, Wang Qing-Lin, Luo You-Hua.Ground-state structures and magnetisms of GenFe(n=1—8) clusters: The density functional investigations. Acta Physica Sinica, 2007, 56(5): 2596-2602.doi:10.7498/aps.56.2596 |
[19] |
Chen Yu-Hong, Zhang Cai-Rong, Ma Jun.Density functional theory study on the structure and properties of MgmBn(m=1,2;n=1—4) clusters. Acta Physica Sinica, 2006, 55(1): 171-178.doi:10.7498/aps.55.171 |
[20] |
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 |