In this paper we study a bandwidth-controlled direct, continuous, phase transition from a Mott insulator, with easy plane Neel order, to a fully gapped $d_{x^2-y^2}$ superconductor with a doubled unit cell on the square lattice, a transition that is forbidden according to the Landau paradigm. This transition is made possible because the vortices of the antiferromagnet are charged and the vortices of the superconductor carry spins. These nontrivial vortex quantum numbers arise because the ordered phases are intimately related to a topological band insulator. We describe the lattice model as well as the effective field theory.
Magnetic phase diagram and Mott transition are studied in the Hubbard model on the anisotropic triangular lattice at zero temperature and half-filling by the variational cluster approximation, taking into account Néel, 120$^\circ$ Néel, and collinear orderings. Paramagnetic insulator (spin liquid) is realized above the metallic phase around the isotropic point. In general, this spin liquid state, continuously connected with the metallic state, changes to a magnetic state as the on-site Coulomb repulsion $U$ increases, but it persists up to large $U$ limit in a small window between 120$^\circ$ …
We study the half-filled Hubbard model on a one-parameter family of vortex-full square lattices ranging from the isotropic case to weakly coupled Hubbard dimers. The ground-state phase diagram consists of four phases: A semi-metal and a band insulator which are connected to the weak-coupling limit, and a magnetically ordered Néel phase and a valence bond crystal (VBC) which are linked to the strong-coupling Mott limit. The phase diagram is obained by quantum Monte Carlo (QMC) and continuous unitary transformations (CUTs). The CUT is performed in a two-step process: Non-perturbative graph-based…
We report on the epitaxial strain-driven electronic and antiferromagnetic modulations of a pseudospin-half square lattice realized in superlattices of (SrIrO3)1/(SrTiO3)1. With increasing compressive strain, we find the low-temperature insulating behavior to be strongly suppressed with a corresponding systematic reduction of both the Neel temperature and the staggered moment. However, despite such a suppression, the system remains weakly insulating above the Neel transition. The emergence of metallicity is observed under large compressive strain but only at temperatures far above the Néel tran…
We theoretically investigate, using non-perturbative strong correlation techniques, Mott insulating phases and magnetic ordering of two-component fermions in a two-dimensional double-well optical lattice. At filling of two fermions per site, there are two types of Mott insulators, one of which is characterized by spin-1 antiferromagnetism below the Neel temperature. The super-exchange interaction in this system is induced by the interplay between the inter-band interaction and the spin degree of freedom. A great advantage of the double-well optical lattice is that the magnetic quantum phase di…
The magnetic properties and Mott transition of the half-filled Hubbard model on the 1/5 depleted square lattice with frustration is studied at zero temperature by the variational cluster approximation. The $(π,π)$ Néel ordering (AF) is stable in a wide region of the phase diagram and almost completely veils the non-magnetic Mott transition for the unfrustrated case. However, AF is severely suppressed by the frustration and even with moderate frustrations the non-magnetic Mott transition takes place in the range where the intra-dimer hoppings are larger than the intra-plaquette hoppings.
Exact Demonstration of Magnetization Pleateaus and First Order Dimer-Néel Phase Transitions in a Modified Shastry-Sutherland Model for SrCu$_2$(BO$_3$)$_2$
Ginzburg-Landau theory describes phase transitions as the competition between energy and entropy: The ordered phase has lower energy, while the disordered phase has larger entropy. When heating the system, ordering is reduced entropically until it vanishes at the critical temperature. This established picture implicitly assumes that the energy difference between ordered and disordered phase does not change with temperature. We show that for the Mott insulator KCuF3 this assumption is strongly violated: thermal expansion energetically stabilizes the orbitally-ordered phase to such and extent th…
The magnetic properties and Mott transition of the Hubbard model on the square lattice with frustration are studied at half-filling and zero temperature by the variational cluster approximation. When the on-site repulsion $U$ is large, magnetically disordered state is realized in highly frustrated region between the Néel and collinear phases, and no imcommensurate magnetic states are found there. As for the Mott transition, in addition to the Mott gap and double occupancy, which clarify the nature of the transition, the structure of the self-energy in the spectral representation is studied in …
Unconventional phases often occur where two competing mechanisms compensate. An excellent example is the ionic Hubbard model where the alternating local potential $δ$, favoring a band insulator (BI), competes with the local repulsion $U$, favoring a Mott insulator (MI). By continuous unitary transformations we derive effective models in which we study the softening of various excitons. The softening signals the instability towards new phases that we describe on the mean-field level. On increasing $U$ from the BI in two dimensions, we find a bond-ordered phase breaking orientational symmetry du…
We discuss a quantum transition from a superfluid to a Mott glass phases in disordered Bose-systems by the example of an isotropic spin-$\frac12$ antiferromagnet with spatial dimension $d\ge2$ and with disorder in tunable exchange couplings. Our analytical consideration is based on general properties of a system in critical regime, on the assumption that the magnetically order part of the system shows fractal properties near the transition, and on a hydrodynamic description of long-wavelength magnons in the magnetically ordered ("superfluide") phase. Our results are fully consistent with a sca…
We study the interplay of strong electron correlations and intra-triangle spin exchange at two-thirds filling of the single-orbital Hubbard model on the decorated honeycomb lattice using rotationally invariant slave bosons. We find that the spin exchange tunes between a spin-$1$ Mott insulator, a metal, and a spin-$0$ Mott insulator when the exchange is antiferromagnetic. The Mott insulators occur from effective intra-triangle multi-orbital interactions and are adiabatically connected to the ground state of an isolated triangle. An antiferromagnetic spin exchange, as determined by the Goodenou…
We establish the nonequilibrium thermal phases of a voltage driven antiferromagnetic Mott insulator in three dimensions, realised at steady state under a voltage bias. Starting from the Keldysh action for the half filled Hubbard model we derive an effective Langevin equation for the `slow' magnetic variables. The coupling of electrons to these degrees of freedom determine the transport properties. At low temperature we find a voltage-driven discontinuous insulator-metal transition, along with hysteresis. We map the suppression of the Néel temperature $T_N$ and pseudogap temperature $T_{pg}$ wi…
We study charge ordering driven by Coulomb interactions on triangular lattices relevant to the Wigner-Mott transition in two dimensions. Dynamical mean-field theory reveals the pinball liquid phase, a charge ordered metallic phase containing quasi-localized (pins) coexisting with itinerant (balls) electrons. Based on an effective periodic Anderson model for this phase, we find an antiferromagnetic Kondo coupling between pins and balls and strong quasiparticle renormalization. Non-Fermi liquid behavior can occur in such charge ordered systems due to spin-flip scattering of itinerant electrons o…
We study the magnetic order and excitations in strong spin-orbit coupled, Van Vleck-type, $d^4$ Mott insulators on a square lattice. Extending the previous work, we include the tetragonal crystal field splitting and explore its effects on magnetic phase diagram and magnon spectra. Two different ordered phases, with in-plane and out-of-plane orientation of the staggered moments, are found for the higher and lower values of the crystal field splitting, respectively. The magnetic excitation spectra for paramagnetic and magnetically ordered phases are calculated and discussed in the context of a c…
Raman scattering experiments on stoichiometric, Mott-insulating LaTiO$_3$ over a wide range of excitation energies reveal a broad electronic continuum which is featureless in the paramagnetic state, but develops a gap of $\sim 800$ cm$^{-1}$ upon cooling below the Néel temperature $T_N = 146$ K. In the antiferromagnetic state, the spectral weight below the gap is transferred to well-defined spectral features due to spin and orbital excitations. Low-energy phonons exhibit pronounced Fano anomalies indicative of strong interaction with the electron system for $T > T_N$, but become sharp and symm…
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$^\circ$ Néel, and collinear orderings, the magnetic phase diagram is studied at zero temperature and half-filling by the variational cluster approximation. We found that when the on-site Coulomb repulsion $U$ is relatively large, nonmagnetic insulator, which is a candidate of the spin liquid state, is realized for wide range of the interchain hopping from quasi two-dimensional to almost one-dimensional regime. When the intercha…
We use quantum Monte Carlo simulations to study a disordered S=1/2 Heisenberg quantum spin model with three different nearest-neighbor interactions, J1<=J2<=J3, on the square lattice. We consider the regime in which J1 represents weak bonds, and J2 and J3 correspond to two kinds of stronger bonds (dimers) which are randomly distributed on columns forming coupled 2-leg ladders. When increasing the average intra-dimer coupling (J2+J3)/2, the system undergoes a Neel to quantum glass transition of the ground state and later a second transition into a quantum paramagnet. The quantum glass phase is …
Neutron scattering measurements have demonstrated that the heavily Cu-doped NaFe$_{1-x}$Cu$_{x}$As compound behaves like a Mott insulator exhibiting both real space Fe-Cu stripes, as well as antiferromagnetism below a Néel temperature for $x\lesssim 0.5$. We have investigated evolution of structural and magnetic ordering using $^{23}$Na and $^{75}$As NMR for single crystals ($x$ = 0.39 and 0.48), confirming antiferromagnetism in the form of magnetic stripes. We show that end-chain defects in these stripes are the principal source of magnetic disorder and are responsible for cluster spin-glass …
X-ray magnetic critical scattering measurements and specific heat measurements were performed on the perovskite iridate Sr$_3$Ir$_2$O$_7$. We find that the magnetic interactions close to the Néel temperature $T_N$ = 283.4(2) K are three-dimensional. This contrasts with previous studies which suggest two-dimensional behaviour like Sr$_2$IrO$_4$. Violation of the Harris criterion ($dν>2$) means that weak disorder becomes relevant. This leads a rounding of the antiferromagnetic phase transition at $T_N$, and modifies the critical exponents relative to the clean system. Specifically, we determine …
A central question in the high temperature cuprate superconductors is the fate of the parent Mott insulator upon charge doping. Here we use scanning tunneling microscopy to investigate the local electronic structure of lightly doped cuprate in the antiferromagnetic insulating regime. We show that the doped charge induces a spectral weight transfer from the high energy Hubbard bands to the low energy in-gap states. With increasing doping, a V-shaped density of state suppression occurs at the Fermi level, which is accompanied by the emergence of checkerboard charge order. The new STM perspective…
Density order is usually a consequence of the competition between long-range and short-range interactions. Here we report a density ordered superfluid emergent from a homogeneous Mott insulator due to the competition between frustrations and local interactions. This transition is found in a Bose-Hubbard model on a frustrated triangle lattice with an extra pairing term. Further, we find a quantum phase transition between two different density ordered superfluids, which is beyond the Landau-Ginzburg paradigm. Across this transition, a U(1) symmetry is emergent, while the symmetry in each density…
We use scanning tunneling microscopy to study the temperature evolution of electronic structure in Ca3Cu2O4Cl2 parent Mott insulator of cuprates. We find that the upper Hubbard band moves towards the Fermi energy with increasing temperature, while the charge transfer band remains basically unchanged. This leads to a reduction of the charge transfer gap size at high temperatures, and the rate of reduction is much faster than that of conventional semiconductors. Across the Neel temperature for antiferromagnetic order, there is no sudden change in the electronic structure. These results shed new …
As a hallmark of electronic correlation, spin-charge interplay underlies many emergent phenomena in doped Mott insulators, such as high-temperature superconductivity, whereas the half-filled parent state is usually electronically frozen with an antiferromagnetic order that resists external control. We report on the observation of a new positive magnetoresistance that probes the staggered susceptibility of a pseudospin-half square-lattice Mott insulator built as an artificial SrIrO3/SrTiO3 superlattice. Its size is particularly large in the high-temperature insulating paramagnetic phase near th…
We discuss exact plaquette-ordered ground states of the generalized Hubbard model based on the projection operator method for several corner sharing lattices: Kagome, checkerboard, and pyrochlore lattices. The obtained exact ground states are interpreted as Néel ordered states on the plaquette-located electrons. We demonstrate that these models also have exact edge states. We also calculate the entanglement entropy exactly in these systems.
We study two-component fermions in optical lattices with spatially alternating on-site interactions using dynamical mean-field theory. Calculating the quasi-particle weight, double occupancy, and order parameters for each sublattice, we discuss the low-temperature properties of the system. When both interactions are repulsive, the magnetically ordered state is realized at half-filling. In the attractive case, the superfluid state is, in general, realized with a particle number imbalance. On the other hand, when repulsive and attractive interactions are comparable in the half-filled system, the…
Realization of a Wigner-Mott insulator in 6R-TaS$_2$ superconductor
Beijing National Center for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所（北京凝聚态物理国家研究中心））；School of Physical Sciences, University of Chinese Academy of Sciences（中国科学院大学物理科学学院）；Hefei National Laboratory（合肥国家实验室）；Department of Physics, Boston College（波士顿学院物理系）
We reinvestigate the pressure dependence of the crystal structure and antiferromagnetic phase transition in MnTe$_2$ by the rigorous and reliable tool of high pressure neutron powder diffraction. First-principles density functional theory calculations are carried out in order to gain microscopic insight. The measured Néel temperature of MnTe$_2$ is found to show unusually large pressure dependence of $12$ K GPa$^{-1}$. This gives rise to large violation of Bloch's rule given by $α=\frac{d\log T_N}{d\log V}=-\frac{10}{3} \approx -3.3$, to a $α$ value of -6.0 $\pm$ 0.1 for MnTe$_2$. The ab-initi…
We investigate the Hubbard model on the honeycomb lattice with intrinsic spin orbit interactions as a paradigm for two-dimensional topological band insulators in the presence of interactions. Applying a combination of Hartree-Fock theory, slave-rotor techniques, and topological arguments, we show that the topological band insulating phase persists up to quite strong interactions. Then we apply the slave-rotor mean-field theory and find a Mott transition at which the charge degrees of freedom become localized on the lattice sites. The spin degrees of freedom, however, are still described by the…
We use quantum Monte Carlo simulations to study a dimer-diluted $S=1/2$ Heisenberg model on a bilayer square lattice with intralayer interaction $J_{1}$ and interlayer interaction $J_{2}$. Below the classical percolation threshold $p_c$, the system has three phases reachable by tuning the interaction ratio $g=J_{2}/J_{1}$: a N$\acute{e}$el ordered phase, a gapless quantum glass phase, and a gapped quantum paramagnetic phase. We present the ground-state phase diagram in the plane of dilution $p$ and interaction ratio $g$. The quantum glass phase is certified to be of the gapless Mott glass type…
Triangular lattice quasi-two-dimensional Mott insulators based on BEDT-TTF molecule and its analogies present a possibility to produce exotic phases by coupling charge and spin degrees of freedom. In this work we discuss magnetic properties of one of such materials, $κ$-(BEDT-TTF)$_2$Hg(SCN)$_2$Cl, which is found at the border of the phase transition between a Mott insulator into a charge ordered state. Our magnetic susceptibility and cantilever magnetisation measurements demonstrate how the charge degree of freedom defines magnetic properties for few different charge phases observed in this m…
Motivated by the recent experimental observation of a Mott insulating state for the layered Iridate Na2IrO3, we discuss possible ordering states of the effective Iridium moments in the presence of strong spin-orbit coupling and a magnetic field. For a field pointing in the [111] direction - perpendicular to the hexagonal lattice formed by the Iridium moments - we find that a combination of Heisenberg and Kitaev exchange interactions gives rise to a rich phase diagram with both symmetry breaking magnetically ordered phases as well as a topologically ordered phase that is stable over a small ran…
In real transition-metal oxides, the so-called GdFeO3 octahedral tilt is long known to be a relevant control parameter influencing the range of orbital and magnetic ordered states found across families of cubic perovskite families. Their precise role in the interplay between itinerance and localisation, long known to underpin Mottness in d-band oxides, has however received much less attention. We analyse the relevance of the GdFeO3 tilt in detail in a representative setting of a partially-filled e g orbital system. We identify a new generalised principle of broad relevance, namely, that this t…
