电子库伦关联作用对新型铁基超导体母体化合物的影响
首发时间:2009-02-05
摘要:自从铁基高温超导体LaOFeAs发现以后,人们利用密度泛函理论开展了大量关于其母体化合物的电子结构和磁性结构的研究。我们利用LDA+U方案研究了电子之间的库伦相互作用对LaOFeAs电子结构的影响。计算表明,在新发现的铁基超导体母体化合物中,其电子之间的关联效应并不是很强,通过与实验值对比,初步估算其库伦相互作用大小在3.5eV-4eV之间,它对沿(001)方向的能带却带来显著的影响,然而并没有发现库伦相互作用会导致绝缘态的出现。
For information in English, please click here
The effect of Coulomb correlation for the mother material of new iron-based layered superconductor
Abstract:Since the discovery of a new class of high-Tc superconductor on the base of LaOFeAs compound, a lot of investigations of the electronic and magnetic structure of mother material in the frames of Density Function Theory were performed. Effects of coulomb correlation on LaOFeAs electronic structure have been investigated by LDA+U。The calculation results show that the correlation strength is not very strong in the mother compound of iron-based layered superconductor. We estimate the coulomb interaction parameter value is between 3.5eV and 4eV in comparison with experimental value, and it bring strong affect on the energy band structure along (110).However ,we didn’t find the insulator state even though increase the coulomb interaction.
Keywords: high Tc superconductor first principle electronic structure magnetic moment
基金:
论文图表:
引用
No.2846239716212338****
同行评议
共计0人参与
勘误表
电子库伦关联作用对新型铁基超导体母体化合物的影响
评论
全部评论