[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] |
Guo Yu-Qi, Pan Jun-Xing, Zhang Jin-Jun, Sun Min-Na, Wang Bao-Feng, Wu Hai-Shun. Multi-scale ordered patterns in photosensitive ternary polymer mixtures. Acta Physica Sinica,
2016, 65(5): 056401.
doi: 10.7498/aps.65.056401
|
[3] |
Dai Guang-Zhen, Jiang Xian-Wei, Xu Tai-Long, Liu Qi, Chen Jun-Ning, Dai Yue-Hua. Effect of oxygen vacancy on lattice and electronic properties of HfO2 by means of density function theory study. Acta Physica Sinica,
2015, 64(3): 033101.
doi: 10.7498/aps.64.033101
|
[4] |
Lü Jin, Yang Li-Jun, Wang Yan-Fang, Ma Wen-Jin. Density functional theory study of structure characteristics and stabilities of Al2Sn(n=2-10) clusters. Acta Physica Sinica,
2014, 63(16): 163601.
doi: 10.7498/aps.63.163601
|
[5] |
Zhang Zhao-Fu, Geng Zhao-Hui, Wang Peng, Hu Yao-Qiao, Zheng Yu-Fei, Zhou Tie-Ge. Properties of 5d atoms doped boron nitride nanotubes:a first-principles calculation and molecular orbital analysis. Acta Physica Sinica,
2013, 62(24): 246301.
doi: 10.7498/aps.62.246301
|
[6] |
Zhang Zhao-Fu, Zhou Tie-Ge, Zuo Xu. First-principles calculations of h-BN monolayers by doping with oxygen and sulfur. Acta Physica Sinica,
2013, 62(8): 083102.
doi: 10.7498/aps.62.083102
|
[7] |
He Jian-Ping, Lü Wen-Zhong, Wang Xiao-Hong. First-principles study of ordered structures in Ba0.5Sr0.5TiO3. Acta Physica Sinica,
2011, 60(9): 097102.
doi: 10.7498/aps.60.097102
|
[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 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
|
[10] |
Gao Hong, Zhu Wei-Hua, Tang Chun-Mei, Geng Fang-Fang, Yao Chang-Da, Xu Yun-Ling, Deng Kai-Ming. Density functional calculation on the geometric structure and electronic properties of the endohedral fullerene N2@C60. Acta Physica Sinica,
2010, 59(3): 1707-1711.
doi: 10.7498/aps.59.1707
|
[11] |
Sun Zhuan-Lan, Zhang Xiao-Qing, Cao Gong-Xun, Wang Xue-Wen, Xia Zhong-Fu. Preparation and piezoelectricity of fluorocarbon polymer piezoelectret films with ordered void structure. Acta Physica Sinica,
2010, 59(7): 5061-5066.
doi: 10.7498/aps.59.5061
|
[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] |
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
|
[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] |
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
|
[17] |
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
|
[18] |
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
|
[19] |
Hu Yin-Qiao. Ordered structure and system development of the force dissipation system(Ⅱ),Minimal value principle of generalized energy and system development. Acta Physica Sinica,
2003, 52(6): 1354-1359.
doi: 10.7498/aps.52.1354
|
[20] |
Hu Yin-Qiao. Ordered structure and system development of the force dissipation system(Ⅰ),Principle of minimum entropy production and ordered structure. Acta Physica Sinica,
2003, 52(6): 1379-1384.
doi: 10.7498/aps.52.1379
|