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2023, 72(24): 245201.
doi: 10.7498/aps.72.20231215
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Cui Yang, Li Jing, Zhang Lin. Electronic structure of graphene nanoribbons under external electric field by density functional tight binding. Acta Physica Sinica,
2021, 70(5): 053101.
doi: 10.7498/aps.70.20201619
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Jiang Yuan-Qi, Peng Ping. Electronic structures of stable Cu-centered Cu-Zr icosahedral clusters studied by density functional theory. Acta Physica Sinica,
2018, 67(13): 132101.
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Cao Qing-Song, Deng Kai-Ming. Theoretical studies of geometric and electronic structures of X@C20F20 (X=He, Ne, Ar, Kr). Acta Physica Sinica,
2016, 65(5): 056102.
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Hou Yu-Hua, Huang You-Lin, Liu Zhong-Wu, Zeng De-Chang. Theoretical study on the influence of rare earth doping on the electronic structure and magnetic properties of cobalt ferrite. Acta Physica Sinica,
2015, 64(3): 037501.
doi: 10.7498/aps.64.037501
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Pan Min, Huang Zheng, Zhao Yong. Study on the electronic structures of Iridium-doped SmOFeAs under the strongly correlated electrons effects. Acta Physica Sinica,
2013, 62(21): 217401.
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Li Qian-Qian, Hao Qiu-Yan, Li Ying, Liu Guo-Dong. Theory study of rare earth (Ce, Pr) doped GaN in electronic structrue and optical property. Acta Physica Sinica,
2013, 62(1): 017103.
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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.
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Song Jian, Li Feng, Deng Kai-Ming, Xiao Chuan-Yun, Kan Er-Jun, Lu Rui-Feng, Wu Hai-Ping. Density functional study on the stability and electronic structure of single layer Si6H4Ph2. Acta Physica Sinica,
2012, 61(24): 246801.
doi: 10.7498/aps.61.246801
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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
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Qu Nian-Rui, Gao Fa-Ming. Theoretical study on electronic structure and properties of solid carbon dioxide. Acta Physica Sinica,
2011, 60(6): 067102.
doi: 10.7498/aps.60.067102
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Jiao Zhao-Yong, Yang Ji-Fei, Zhang Xian-Zhou, Ma Shu-Hong, Guo Yong-Liang. Theoretical investigation of elastic, electronic, and optical properties of zinc-blende structure GaN under high pressure. Acta Physica Sinica,
2011, 60(11): 117103.
doi: 10.7498/aps.60.117103
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Zhang Xiu-Rong, Wu Li-Qing, Rao Qian. Theoretical study of electronic structure and optical properties of OsnN0,(n=1 6) clusters. Acta Physica Sinica,
2011, 60(8): 083601.
doi: 10.7498/aps.60.083601
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Tang Hui-Shuai, Zhang Xiu-Rong, Gao Cong-Hua, Wu Li-Qing. The theory study of electronic structures and spectram properties of WnNim(n+m≤7; m=1, 2) clusters. Acta Physica Sinica,
2010, 59(8): 5429-5438.
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Cao Qing-Song, Deng Kai-Ming, Chen Xuan, Tang Chun-Mei, Huang De-Cai. Density functional study on the geometric and electronic properties of MC20F20 (M=Li, Na, Be, Mg). Acta Physica Sinica,
2009, 58(3): 1863-1869.
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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.
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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.
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Tang Chun-Mei, Yuan Yong-Bo, Deng Kai-Ming, Yang Jin-Long. Structural and electronic properties of C72 and La2@C72. Acta Physica Sinica,
2006, 55(7): 3601-3605.
doi: 10.7498/aps.55.3601
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Hao Jing-An, Zheng Hao-Ping. Theoretical calculation of structures and properties of Ga6N6 cluster. Acta Physica Sinica,
2004, 53(4): 1044-1049.
doi: 10.7498/aps.53.1044
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TONG HONG-YONG, GU MU, TANG XUE-FENG, LIANG LING, YAO MING-ZHEN. ELECTRONIC STRUCTURES OF PbWO4 CRYSTAL CALCULATED IN TERMS OF DENSITY FUNCTIONAL THEORY. Acta Physica Sinica,
2000, 49(8): 1545-1549.
doi: 10.7498/aps.49.1545
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