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First-principles electronic-structure calculation on the spin distribution and the half-metallic properties of the mixed valence iron compound Ba2F2Fe1.5S3 期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2009, 卷号: 321, 期号: 9, 页码: 1192-1198
作者:  Liu, J.;  Yao, K. L.;  Luo, B.;  Mua, Z. E.;  Zhu, L.;  Gao, G. Y.;  Li, Y. L.;  Liu, Z. L.
收藏  |  浏览/下载：79/0  |  提交时间：2021/02/02
DFT  Antiferromagnetic  Electronic structure  Superexchange interaction  Mixed valence iron compound  
First-principles electronic-structure calculation on the spin distribution and the half-metallic properties of the mixed valence iron compound Ba(2)F(2)Fe(1.5)S(3) 期刊论文
Journal of Magnetism and Magnetic Materials, 2009, 卷号: 321, 期号: 9, 页码: 1192-1198
作者:  J. Liu;  K. L. Yao;  B. Luo;  Z. E. Mua;  L. Zhu;  G. Y. Gao;  Y. L. Li;  Z. L. Liu
Adobe PDF(1083Kb)  |  收藏  |  浏览/下载：135/0  |  提交时间：2012/04/13
Dft  Antiferromagnetic  Electronic Structure  Superexchange Interaction  Mixed Valence Iron Compound  Fe-57 Mossbauer Spectrum  Transition Point  Magnetite  Ilvaite  Systems  
Strong ferromagnetic coupling of {[Cu(Hpht)(N-3)]center dot H2O}(n) with simultaneous end-on azido and carboxylato bridges: A first principle study 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2005, 卷号: 43, 期号: 2, 页码: 349-352
作者:  Yao, KL;  Zu, FX;  Liu, ZL;  Zou, WD
收藏  |  浏览/下载：79/0  |  提交时间：2021/02/02
ferromagnetic coupling  spin polarization  superexchange interaction  
Strong ferromagnetic coupling of { Cu(Hpht)(N-3) center dot H2O}(n) with simultaneous end-on azido and carboxylato bridges: A first principle study 期刊论文
Communications in Theoretical Physics, 2005, 卷号: 43, 期号: 2, 页码: 349-352
作者:  K. L. Yao;  F. X. Zu;  Z. L. Liu;  W. D. Zou
收藏  |  浏览/下载：94/0  |  提交时间：2012/04/14
Ferromagnetic Coupling  Spin Polarization  Superexchange Interaction  Crystal-structure  Magnetostructural Correlations  Complexes  Systems  Compound  Behavior  Chain  State