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具有洪德耦合的三能带哈伯德模型的基态:磁有序存在下的双面行为。

Ground state of a three-band Hubbard model with Hund's coupling: Janus-faced behavior in presence of magnetic order.

作者信息

Maurya Arun Kumar, Sarder Md Tahir Hossain, Medhi Amal

机构信息

Indian Institute of Science Education and Research Thiruvananthapuram, Kerala 695551, India.

出版信息

J Phys Condens Matter. 2021 Aug 11;33(42). doi: 10.1088/1361-648X/ac1766.

Abstract

We study the ground state of the three-band degenerate Hubbard model on a square lattice at integer fillings using the variational slave-spin mean field method. At half-filling, the method reproduces the well known result that the ground state is antiferromagnetic (AF) insulating at smaller values of Hubbard onsite repulsion, while it becomes Mott insulating with Néel AF order at higher. Away from half-filling, for two particles per site, we show that the model supports a ferromagnetic (FM) metallic state with fully polarized spins at sufficiently large. The FM state occurs irrespective of the value of Hund's coupling. The ferromagnetism at= 0 can be explained by the Stoner mechanism while that for> 0 is shown to arise from the superexchange process. At this band filling, the Hund's couplingis known to have the Janus-faced effect on electronic correlations where it enhances correlations at smallerwhile reducing it at higher. We show that these two effects are separated by the paramagnetic (PM) to FM transition point. The former effect is obtained at the PM state while the latter occurs in the FM state. The FM phase also occurs for one particle per site but here Hund's couplingreduces the effect of electronic correlations at all.

摘要

我们使用变分从属自旋平均场方法研究了正方晶格上整数填充时的三带简并哈伯德模型的基态。在半填充时,该方法重现了一个众所周知的结果:在较小的哈伯德在位排斥值下,基态是反铁磁(AF)绝缘态,而在较大值时,它变成具有奈尔AF序的莫特绝缘态。远离半填充时,对于每个格点两个粒子的情况,我们表明该模型在足够大时支持一种具有完全极化自旋的铁磁(FM)金属态。FM态的出现与洪德耦合的值无关。在(J = 0)时的铁磁性可以用斯托纳机制来解释,而对于(J>0)的情况,表明是由超交换过程引起的。在这个能带填充下,已知洪德耦合对电子关联具有两面性效应,即在较小的(J)时增强关联,而在较大的(J)时减弱关联。我们表明这两种效应被顺磁(PM)到FM的转变点分开。前一种效应在PM态下获得,而后一种效应发生在FM态。对于每个格点一个粒子的情况也会出现FM相,但在这里洪德耦合在所有情况下都降低了电子关联的效应。

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