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[期刊论文] 作者:YI Lin,DUAN Yi-Feng, 来源:中国物理快报(英文版) 年份:2005
First-principle calculations are performed to study the infrared optical and electronic properties of the tetragonal CaTiO3.We find that dielectric function and...
[期刊论文] 作者:DUAN Yi-Feng,YI Lin, 来源:中国物理快报(英文版) 年份:2005
We perform first-principle calculations for the study of the orthorhombic Rb2Cd2 (SO4)3 structure. Electronic energy bands, total and partial densities of state...
[期刊论文] 作者:LIU Hui-Ping DUAN Yi-Feng YI L, 来源:理论物理通讯:英文版 年份:2007
[期刊论文] 作者:LIU Hui-Ping,DUAN Yi-Feng,YI L, 来源:理论物理通讯(英文版) 年份:2004
With the help of the first-principles full potential linearized augmented plane wave method, absorption coefficients, reflectivity, dielectric behavior and elec...
[期刊论文] 作者:SHI Li-Wei,DUAN Yi-Feng,QIN Li-Xia, 来源:中国物理快报(英文版) 年份:2010
[期刊论文] 作者:WANG Chun-Mei,DUAN Yi-Feng,CHEN Chang-Qing, 来源:中国物理快报(英文版) 年份:2009
Tetragonal Ba TiO3 under uniaxial tensile stress along the c axis is investigated from first principles. The structural parameters and polarization show a littl...
[期刊论文] 作者:SHI Li-Wei,DUAN Yi-Feng,YANG Xian-Qing,QIN Li-Xia, 来源:中国物理快报(英文版) 年份:2010
Using the plane-wave pesudopotential(PWPP)method within the generalized gradient approximation(GGA),we investigate the hydrostatic pressure induced effect on th...
[期刊论文] 作者:DUAN Yi-Feng,QIN Li-Xia,SHI Li-Wei,TANG Gang, 来源:中国物理快报(英文版) 年份:2011
Rhombohedral BaTiO3 under hydrostatic pressure is investigated by first principles calculations.Our results show that just like tetragonal perovskites, as press...
[期刊论文] 作者:SHI Li-Wei,DUAN Yi-Feng,YANG Xian-Qing,TANG Gang, 来源:中国物理快报(英文版) 年份:2011
The lattice dynamic and elastic instabilities of zincblende (ZB) thallium nitride (TlN) under hydrostatic pressure are extensively studied to reveal the physica...
[期刊论文] 作者:GONG Sai,WANG Yue-Hua,ZHAO Xin-Yin,ZHANG Min,ZHAO Na,DUAN Yi-Feng, 来源:中国物理快报(英文版) 年份:2011
A first principles study using the full potential linearized augmented plane wave(FP-LAPW)method is applied to study the structural, electronic and optical prop...
[期刊论文] 作者:ZHAO Bo-Tao,DUAN Yi-Feng,SHI Hong-Liang,QIN Li-Xia,SHI Li-Wei,TANG Gang, 来源:中国物理快报(英文版) 年份:2012
The structural transformation and electronic structure of ZnO under hydrostatic pressure are investigated using the HSE06 range-separated hybrid functional.We s...
[期刊论文] 作者:LIU Kun,DUAN Yi-Feng,LV Dong,WU Hong-Bo,QIN Li-Xia,SHI Li-Wei,TANG Gang, 来源:中国物理快报(英文版) 年份:2014
[期刊论文] 作者:WU Hong-Bo,DUAN Yi-Feng,LIU Kun,LV Dong,QIN Li-Xia,SHI Li-Wei,TANG Gang, 来源:中国物理快报(英文版) 年份:2015
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