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First-order metal-insulator transitions in the extended Hubbard model due to self-consistent screening of the effective interaction

机译：由于有效相互作用的自洽筛选，扩展的Hubbard模型中的一阶金属-绝缘体转变

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摘要

While the Hubbard model is the standard model to study Mott metal-insulator transitions, it is still unclear to what extent it can describe metal-insulator transitions in real solids, where nonlocal Coulomb interactions are always present. By using a variational principle, we clarify this issue for short- and long-range nonlocal Coulomb interactions for half-filled systems on bipartite lattices. We find that repulsive nonlocal interactions generally stabilize the Fermi-liquid regime. The metal-insulator phase boundary is shifted to larger interaction strengths to leading order linearly with nonlocal interactions. Importantly, nonlocal interactions can raise the order of the metal-insulator transition. We present a detailed analysis of how the dimension and geometry of the lattice as well as the temperature determine the critical nonlocal interaction leading to a first-order transition: for systems in more than two dimensions with nonzero density of states at the Fermi energy the critical nonlocal interaction is arbitrarily small: otherwise, it is finite.
机译：尽管Hubbard模型是研究Mott金属-绝缘体转变的标准模型，但仍不清楚它在多大程度上可以描述实际存在非本地库仑相互作用的真实固体中的金属-绝缘体转变。通过使用变分原理，我们澄清了二分晶格上半填充系统的短期和长期非局部库仑相互作用的问题。我们发现排斥性的非局部相互作用通常可以稳定费米-液态。金属-绝缘体的相界转移到更大的相互作用强度，从而通过非局部相互作用线性地领先。重要的是，非局部相互作用可以提高金属-绝缘体转变的顺序。我们对晶格的尺寸和几何形状以及温度如何确定导致一阶跃迁的临界非局部相互作用进行了详细分析：对于二维以上的系统，费米能量处的态密度为非零，临界非本地交互作用很小：否则，它是有限的。

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  • 来源
    《Physical review》 |2018年第16期|165135.1-165135.9|共9页
  • 作者

    M. Schueler; E. G. C. P. van Loon; M. I. Katsnelson; T. O. Wehling;

  • 作者单位

    Institut fuer Theoretische Physik, University Bremen, Otto-Hahn-Allee 1, 28359 Bremen, Germany,Bremen Center for Computational Materials Science, Universitat Bremen, Am Fallturm la, 28359 Bremen, Germany;

    Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, NL-6525 AJ Nijmegen, Netherlands;

    Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, NL-6525 AJ Nijmegen, Netherlands;

    Institut fuer Theoretische Physik, University Bremen, Otto-Hahn-Allee 1, 28359 Bremen, Germany,Bremen Center for Computational Materials Science, Universitat Bremen, Am Fallturm la, 28359 Bremen, Germany;

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