Correlation Effects on Antiferromagnetism in Fe Pnictides
Correlation Effects on Antiferromagnetism in Fe Pnictides
复制标题
DOI：
10.1143/jpsjs.80sa.sa121
复制
发表时间：
2010-10
影响因子：
1.7
通讯作者：
K. Kubo;P. Thalmeier
中科院分区：
文献类型：
--
作者：
K. Kubo;P. Thalmeier
用变分蒙特卡罗方法对一个双轨道模型进行了计算，研究了关联效应对铁离子反铁磁序的影响。即使对于与带宽相当的库仑相互作用，我们也得到了与实验观测一致的小的有序矩。对Fe粒子库仑相互作用的研究表明，计算值与带宽值相当或略小于带宽，对于如此大的库仑相互作用，用Hartree-Fock近似得到的有序矩要大得多。因此，至少在定量上，关联效应对铁多肽是重要的。
To investigate correlation effects on antiferromagnetic order in Fe pnictides, we apply a variational Monte Carlo method to a two-orbital model. We obtain a small ordered moment consistent with experimental observations even for a Coulomb interaction comparable to the band width. Studies of estimation of the Coulomb interaction for Fe pnictides suggest values comparable to or slightly smaller than the band width, and much larger ordered moments have been obtained by the Hartree–Fock approximation for such a large Coulomb interaction. Thus, the correlation effect is important for Fe pnictides at least quantitatively.