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Peng Jun-Hui, Tikhonov Evgenii. First-principles study of vacancy ordered structures, mechanical properties and electronic properties of ternary Hf-C-N system. Acta Physica Sinica,
2021, 70(21): 216101.
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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
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Chen Ji-Xiang, Qiang Jian-Bing, Wang Qing, Dong Chuang. Defining nearest neighbor clusters in alloy phases using radial distribution of atomic density. Acta Physica Sinica,
2012, 61(4): 046102.
doi: 10.7498/aps.61.046102
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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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Tang Xin, Zhang Qing-Yu, Lü Hai-Feng, Pu Chun-Ying. First-principles study on the electronic structures and structural stability of Cd-doped ZnO. Acta Physica Sinica,
2011, 60(3): 037101.
doi: 10.7498/aps.60.037101
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Li Kai, Tang Yong-Jian, Luo Jiang-Shan, Yi Yong, Ding Zhi-Jie. First-principles calculations of electronic structure and magnetism of Ni4NdB. Acta Physica Sinica,
2011, 60(9): 097503.
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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.
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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.
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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
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Ji Zheng-Hua, Zeng Xiang-Hua, Cen Jie-Ping, Tan Ming-Qiu. Electronic structure and phase transformation in ZnSe: An ab initio study. Acta Physica Sinica,
2010, 59(2): 1219-1224.
doi: 10.7498/aps.59.1219
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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
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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.
doi: 10.7498/aps.59.5429
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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
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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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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
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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.
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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
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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
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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
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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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