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Quantum Phase Transitions Induced by Strong Correlations Rare-earth Metal Material LaS

Wangyang Du, Chenfeng Liu, Fei Gao, Hong-Shuai Tao

Published Jun 16, 2025• 0 citations
Publisher

Abstract

Abstract This study integrates cellular dynamical mean-field theory with continuous-time quantum Monte Carlo methods to investigate how strong correlations affect quantum phase transitions in the quasi-two-dimensional square lattice of LaS. By analyzing changes in the density of states, double occupancy, and the spectral function on the Fermi surface of lanthanum and sulfur atoms, it is revealed that stronger correlations drive the system from a metallic state to a Mott insulating state. The phase transition is further confirmed through the spectral function near the Fermi surface. This study proposes a simulation scheme for quantum phase transitions by tuning interaction strength, providing new insights and valuable references for understanding the physical properties of LaS and its quantum phase transition mechanism.

DOI
10.21203/rs.3.rs-6812388/v1

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We study the transitions from band insulator to metal to Mott insulator in the ionic Hubbard model on a two-dimensional square lattice using determinant quantum Monte Carlo. Evaluation of the temperature dependence of the conductivity demonstrates that the metallic region extends for a finite range of interaction values. The Mott phase at strong coupling is accompanied by antiferromagnetic order. Inclusion of these intersite correlations changes the phase diagram qualitatively compared to dynamical mean field theory.
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Abstract: The metal–insulator transition (MIT) constitutes one of the most profound and persistent problems in condensed matter physics, sitting at the intersection of electronic structure theory, many-body physics, and emergent quantum phenomena. Conventional band theory, which successfully classifies materials as metals or insulators according to the filling of their electronic bands, fails dramatically when confronted with a class of compounds transition metal oxides chief among them that ought to be metallic by band-counting arguments yet are robustly insulating in the laboratory. The resolution of this paradox required abandoning the independent-electron picture entirely and recognizing that strong Coulomb repulsion between electrons can, by itself, drive localization. This insight, formalized by Mott and later distilled into the Hubbard model, established correlation-driven insulation as a phenomenon distinct from band insulation. The present paper offers a theoretical exploration of the MIT problem, tracing its conceptual development from the Mott criterion through the Hubbard Hamiltonian, the Brinkman–Rice scenario of quasiparticle mass divergence, and the watershed development of dynamical mean-field theory (DMFT), which rendered the Mott transition quantitatively tractable for the first time. We argue that the competition between the electronic bandwidth and the on-site interaction encoded in the ratio U/W provides the unifying organizing principle for the field. Building toward the modern frontier, we examine how the Mott transition connects to quantum phase transitions and quantum criticality, where zero-temperature instabilities governed by quantum rather than thermal fluctuations produce non-Fermi-liquid behavior and anomalous scaling. Case studies of vanadium oxides, rare-earth nickelates, and doped cuprates illustrate the diversity and subtlety of real correlated materials. We conclude that the MIT remains a central and unresolved problem whose continued study is increasingly entangled with the development of quantum materials and quantum technologies. Keywords: Metal–Insulator Transition; Mott Insulator; Strongly Correlated Electrons; Hubbard Model; DMFT; Quantum Criticality; Quantum Materials; Condensed Matter Physics
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Abstract Mott transition in a ruby lattice with fermions described by the Hubbard model including on-site repulsive interaction is investigated by combining the cellular dynamical mean-field theory and the continuous-time quantum Monte Carlo algorithm. The effect of temperature and on-site repulsive interaction on the metallic–insulating phase transition in ruby lattice with fermions is discussed based on the density of states and double occupancy. In addition, the magnetic property of each phase is discussed by defining certain magnetic order parameters. Our results show that the antiferromagnetic metal is found at the low temperature and weak interaction region and the antiferromagnetic insulating phase is found at the low temperature and strong interaction region. The paramagnetic metal appears in whole on-site repulsive interaction region when the temperature is higher than a certain value and the paramagnetic insulator appears at the middle scale of temperature and on-site repulsive interaction.