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arXiv 2104.09291cond-mat.str-el
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广义哈伯德模型中的金属-绝缘体相变和反铁磁性:关联效应的处理

Metal-insulator transition and antiferromagnetism in the generalized Hubbard model: Treatment of correlation effects

P. A. Igoshev, V. Yu. Irkhin

摘要:

半满$t-t'$哈伯德模型的基态处理的Hartree-Fock近似和从玻色子的方法,包括相关。在斯莱特方案中的金属-绝缘体转变的判据是制定使用分析的自由能扩展在次近邻转移积分$t'$和直接反铁磁间隙$Δ$。关联效应通常被证明有利于一级转变。对于具有强范霍夫奇异性的正方形晶格,在很宽的参数范围内分析发现了反铁磁相和顺磁相的偶然密切简并。结果,由于范霍夫奇点的存在,存在一个$t'$值的区间,对于该区间,金属-绝缘体转变是一阶的。该区间对模型参数(直接交换积分)或外部参数非常敏感。对于简单和体心立方晶格,从绝缘体反铁磁状态的过渡与增加$t'$发生的反铁磁金属相,是一个二级过渡,其次是过渡到顺磁金属。当考虑到能引起一级跃迁的位间海森堡相互作用时,这些结果被定量地修正。与蒙特卡罗结果进行了比较。

英文摘要:

The ground state for the half-filled $t-t'$ Hubbard model is treated within the Hartree-Fock approximation and the slave boson approach including correlations. The criterium for the metal-insulator transition in the Slater scenario is formulated using an analytical free-energy expansion in the next-nearest-neighbor transfer integral $t'$ and in direct antiferromagnetic gap $Δ$. The correlation effects are generally demonstrated to favor the first-order transition. For a square lattice with a strong van Hove singularity, accidental close degeneracy of antiferromagnetic and paramagnetic phases is analytically found in a wide parameter region. As a result, there exists an interval of $t'$ values for which the metal-insulator transition is of the first order due to the existence of the van Hove singularity. This interval is very sensitive to model parameters (direct exchange integral) or external parameters. For the simple and body-centered cubic lattices, the transition from the insulator antiferromagnetic state with increasing $t'$ occurs to the phase of an antiferromagnetic metal and is a second-order transition which is followed by a transition to a paramagnetic metal. These results are quantitatively modified when taking into account the intersite Heisenberg interaction, which can induce first-order transitions. A comparison with the Monte Carlo results is performed.

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