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We present a new quantum molecular dynamics (MD) method where the electronic structure and atomic forces are solved by a real-space dynamical mean-field theory (DMFT). Contrary to most quantum MD methods that are based on effective…

Strongly Correlated Electrons · Physics 2022-08-19 Zhijie Fan , Gia-Wei Chern

The Mott transition is observed experimentally in materials that are magnetically frustrated so that long-range order does not hide the Mott transition at finite temperature. The Hubbard model on the triangular lattice at half-filling is a…

Strongly Correlated Electrons · Physics 2023-04-03 P. -O. Downey , O. Gingras , J. Fournier , C. -D. Hébert , M. Charlebois , A. -M. S. Tremblay

More than half a century after first being proposed by Sir Nevill Mott, the deceptively simple question of whether the interaction-driven electronic metal-insulator transition may be continuous remains enigmatic. Recent experiments on…

Strongly Correlated Electrons · Physics 2015-06-30 Ryan V. Mishmash , Ivan Gonzalez , Roger G. Melko , Olexei I. Motrunich , Matthew P. A. Fisher

Motivated by recent experiment on the Na$_4$Ir$_3$O$_8$ compound we study the Hubbard model on the "hyper-kagome lattice", which forms a three-dimensional network of corner sharing triangles, using dynamical cluster approximation (DCA)…

Strongly Correlated Electrons · Physics 2009-03-18 Hunpyo Lee , Hartmut Monien

Creating heterostructures with graphene/graphite is a practical method for charge-doping $\alpha$-RuCl$_3$, but not sufficient to cause the insulator-to-metal transition. In this study, detailed scanning tunneling microscopy/spectroscopy…

Strongly Correlated Electrons · Physics 2024-01-05 Xiaohu Zheng , Ogasawara Takuma , Huaxue Zhou , Chongli Yang , Xin Han , Gang Wang , Junhai Ren , Youguo Shi , Katsumi Tanigaki , Rui-Rui Du

The question of the existence of a spin liquid state in the half-filled Hubbard model on the honeycomb (aka graphene) lattice is revisited. The Variational Cluster Approximation (VCA), the Cluster Dynamical Mean Field Theory (CDMFT) and the…

Strongly Correlated Electrons · Physics 2015-06-12 S. R. Hassan , David Sénéchal

We perform a thorough study of an extended Hubbard model featuring local and nearest-neighbor Coulomb repulsion. Using dynamical mean-field theory we investigated the zero temperature phase-diagram of this model as a function of the…

Strongly Correlated Electrons · Physics 2017-03-15 K. J. Kapcia , S. Robaszkiewicz , M. Capone , A. Amaricci

The effect of Coulomb correlations in the half-filled Hubbard model of the honeycomb lattice is studied within the dynamical cluster approximation (DCA) combined with exact diagonalization (ED) and continuous-time quantum Monte Carlo (QMC).…

Strongly Correlated Electrons · Physics 2015-06-15 Ansgar Liebsch , Wei Wu

The competition between antiferromagnetism and hole motion in two-dimensional Mott insulators lies at the heart of a doping-dependent transition from an anomalous metal to a conventional Fermi liquid. Condensed matter experiments suggest…

We have studied the impact of non-local electronic correlations at all length scales on the Mott-Hubbard metal-insulator transition in the unfrustrated two-dimensional Hubbard model. Combining dynamical vertex approximation, lattice quantum…

Strongly Correlated Electrons · Physics 2015-03-05 T. Schäfer , F. Geles , D. Rost , G. Rohringer , E. Arrigoni , K. Held , N. Blümer , M. Aichhorn , A. Toschi

We study transport properties of the half-filled two-dimensional (2D) Hubbard model with spatially varying interactions, where a pattern of interacting and non-interacting sites is formed. We use Determinantal Quantum Monte Carlo method to…

Strongly Correlated Electrons · Physics 2014-08-15 Rubem Mondaini , Thereza Paiva

We study evolution of metals from Mott insulators in the carrier-doped 2D Hubbard model using a cluster extension of the dynamical mean-field theory. While the conventional metal is simply characterized by the Fermi surface (pole of the…

Strongly Correlated Electrons · Physics 2009-11-13 Shiro Sakai , Yukitoshi Motome , Masatoshi Imada

We investigate the magnetic properties and Mott transition in the Hubbard model for weakly coupled chains on the anisotropic triangular lattice. Taking into account 120$^\circ$ N\'eel, and collinear orderings, the magnetic phase diagram is…

Strongly Correlated Electrons · Physics 2015-06-22 Atsushi Yamada

Discontinuous changes of the lattice parameters at the Mott metal-insulator transition are detected by high-resolution dilatometry on deuterated crystals of the layered organic conductor $\kappa$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Br. The…

Strongly Correlated Electrons · Physics 2007-12-11 M. de Souza , A. Bruehl , Ch. Strack , B. Wolf , D. Schweitzer , M. Lang

The phenomenon of Mott insulation involves the localization of itinerant electrons due to strong local repulsion. Upon doping, a pseudogap (PG) phase emerges - marked by selective gapping of the Fermi surface without conventional symmetry…

Strongly Correlated Electrons · Physics 2026-02-25 Abhirup Mukherjee , S. R. Hassan , Anamitra Mukherjee , N. S. Vidhyadhiraja , A. Taraphder , Siddhartha Lal

We investigate a system of one dimensional Hubbard chains of interacting fermions coupled by inter-chain hopping. Using a generalization of the Dynamical Mean Field Theory we study the deconfinement transition from a Mott insulator to a…

Strongly Correlated Electrons · Physics 2009-11-07 S. Biermann , A. Georges , A. Lichtenstein , T. Giamarchi

We study the physics on the paramagnetic side of the phase diagram of the cobaltates, $Na_{x}CoO_{2}$, with an implementation of cellular dynamical mean field theory (CDMFT) with the non-crossing approximation (NCA) for the one-band Hubbard…

Strongly Correlated Electrons · Physics 2009-11-13 Dimitrios Galanakis , Tudor Stanescu , Philip Phillips

Mottness is at the heart of the essential physics in a strongly correlated system as many novel quantum phenomena occur in the metallic phase near the Mott metal-insulator transition. We investigate the Mott transition in a Hubbard model by…

Strongly Correlated Electrons · Physics 2023-11-29 Yuekun Niu , Yu Ni , Jianli Wang , Leiming Chen , Ye Xing , Yun Song , Shiping Feng

Proximity to a Mott insulating phase is likely to be an important physical ingredient of a theory that aims to describe high-temperature superconductivity in the cuprates. Quantum cluster methods are well suited to describe the Mott phase.…

Strongly Correlated Electrons · Physics 2009-11-11 S. S. Kancharla , B. Kyung , D. Senechal , M. Civelli , M. Capone , G. Kotliar , A. -M. S. Tremblay

We consider a minimal model to investigate the metal-insulator transition in VO$_2$. We adopt a Hubbard model with two orbital per unit cell, which captures the competition between Mott and singlet-dimer localization. We solve the model…

Strongly Correlated Electrons · Physics 2017-01-12 Óscar Nájera , Marcello Civelli , Vladimir Dobrosavljević , Marcelo J. Rozenberg