Using the Density Matrix Renormalization Group and two-leg ladders, we investigate an electronic two-orbital Hubbard model including plaquette diagonal hopping amplitudes. Our goal is to search for regimes where charges added to the undoped state form pairs, presumably a precursor of a superconducting state.For the electronic density $ρ=2$, i.e. the undoped limit, our investigations show a robust $(π,0)$ antiferromagnetic ground state, as in previous investigations. Doping away from $ρ=2$ and for large values of the Hund coupling $J$, a ferromagnetic region is found to be stable. Moreover, when the interorbital on-site Hubbard repulsion is smaller than the Hund coupling, i.e. for $U'<J$ in the standard notation of multiorbital Hubbard models, our results indicate the coexistence of pairing tendencies and ferromagnetism close to $ρ=2$. These results are compatible with previous investigations using one dimensional systems. Although further research is needed to clarify if the range of couplings used here is of relevance for real materials, such as superconducting heavy fermions or pnictides, our theoretical results address a possible mechanism for pairing that may be active in the presence of short-range ferromagnetic fluctuations.
Magnetic properties and pairing tendencies of the iron-based superconducting ladder BaFe$_2$S$_3$: combined ab initio and density matrix renormalization group study
本文报道了最近在两柱梯形化合物BaFe $_2$ S $_3$中发现的高压超导电性[H. Takahashi等人,Nature Materials 14,1008(2015)]开辟了一条广阔的研究途径,因为它代表了准一维铁基高临界温度超导体中配对趋势的第一份报告。与铜酸盐的情况类似,使用多体技术和模型哈密顿量可以更精确地研究阶梯和链,而不是分层的对应物,特别是如果几个轨道是活跃的。在这篇文章中,我们从第一原理推导出一个双轨道哈伯德模型,该模型描述了BaFe $_2$ S $_3$的各个阶梯。用密度矩阵重整化群研究了该模型。这些首次报道的结果是令人兴奋的两个原因:(i)在半填充,铁磁顺序出现作为主导的磁性模式沿梯级的梯子,和反铁磁顺序沿腿,在良好的协议与中子实验;(ii)对形成强耦合制度,通过研究发现掺杂的两个空穴的结合能的半填充系统。此外,轨道选择性莫特相特性随着掺杂而发展,只有一个Wannier轨道接收空穴载流子,而另一个保持半填充。这些结果表明,铁基双阶梯模型的分析可以阐明铁基高临界温度超导体的配对倾向和其他奇异性质的起源。
Kinetic obstruction to pairing in the doped Kitaev-Heisenberg ladder
University of Missouri(密苏里大学);University of Tennessee(田纳西大学);Oak Ridge National Laboratory(橡树岭国家实验室);Quantum Science Center(量子科学中心);Materials Science and Engineering Institute, University of Missouri(密苏里大学材料科学与工程研究所)
Prediction of orbital selective Mott phases and block magnetic states in the quasi-one-dimensional iron chain Ce$_2$O$_2$FeSe$_2$ under hole and electron doping
最近的准一维铁基梯形的详细研究,与$3d$铁的电子密度$n = 6$,揭示了惊喜,如轨道选择性阶段。然而,对$n=6$铁链的类似研究仍然很少。本文利用三轨道电子Hubbard模型研究了准一维$n=6$铁链Ce $_2$ O $_2$ FeSe $_2$的磁性和电子性质,重点研究了掺杂对体系的影响.具体地说,引入Hubbard $U$和Hund $J_{H}$耦合,并通过密度矩阵重整化群研究模型,我们报告的基态相图改变电子密度远离$n=6$。对于现实的Hund耦合$J_{H}/U = 1/4$,得到几个电子相,包括金属,轨道选择性Mott,和Mott绝缘相。远离母相掺杂,许多倾向的竞争导致各种磁性状态,如铁磁性,以及几个反铁磁性和磁性“块”相。在空穴掺杂区,发现了两种不同的轨道选择性Mott相:OSMP1(具有一个定域轨道和两个巡游轨道)和OSMP2(具有两个定域轨道和一个巡游轨道)。在特定的掺杂区域还发现了电荷分离现象。我们认为,我们的预测可以通过简单的修改在原来的化学式Ce $_2$ O $_2$ FeSe $_2$。