We report that the 122 type Sr$_{1-x}$Ca$_x$Co$_2$P$_2$ solid solution undergoes an anomalous structural transition from the uncollapsed to the collapsed ThCr$_2$Si$_2$ structure at a distinct onset composition near $x=0.5$. Correlated with the structural changes, the electronic system evolves from a nearly ferromagnetic Fermi liquid to an antiferromagnetic metal, through a complex crossover regime. The structural collapse, driven by P-P bonding across the (Sr,Ca) layers, is much more pronounced in this system than it is in the analogous Fe-based system, indicating a strong sensitivity of structure to total electron count in the transition metal pnictide 122 family.
The complex resistivity $\hatρ(ω)$ of the vortex lattice in an untwinned crystal of 93-K $\rm YBa_2Cu_3O_7$ has been measured at frequencies $ω/2π$ from 100 kHz to 20 MHz in a 2-Tesla field $\bf H\parallel c$, using a 4-probe RF transmission technique that enables continuous measurements versus $ω$ and temperature $T$. As $T$ is increased, the inductance ${\cal L}_s(ω) ={\rm Im} \hatρ(ω)/ ω$ increases steeply to a cusp at the melting temperature $T_m$, and then undergoes a steep collapse consistent with vanishing of the shear modulus $c_{66}$. We discuss in detail the separation of the vortex-…
We compute the ground-state phase diagram of the Hubbard and frustrated Hubbard models on the square lattice with density matrix embedding theory using clusters of up to 16 sites. We provide an error model to estimate the reliability of the computations and complexity of the physics at different points in the diagram. We find superconductivity in the ground-state as well as competition between inhomogeneous charge, spin, and pairing states at low doping. The estimated errors in the study are below T$_c$ in the cuprates and on the scale of contributions in real materials that are neglected in t…
We study ground state properties and excitation spectra for hard-core Bosons on square and triangular lattices, at half filling, using series expansion methods. Nearest-neighbor repulsion between the Bosons leads to the development of short-range density order at the antiferromagnetic wavevector, and simultaneously a roton minima in the density excitation spectra. On the square-lattice, the model maps on to the well studied XXZ model, and the roton gap collapses to zero precisely at the Heisenberg symmetry point, leading to the well known spectra for the Heisenberg antiferromagnet. On the tria…
We employ a combination of the \emph{ab initio} band structure methods and dynamical mean-field theory to determine the electronic structure and phase stability of paramagnetic FeO at high pressure and temperature. Our results reveal a high-spin to low-spin transition within the B1 crystal structure of FeO upon compression of the lattice volume above 73~GPa. The spin-state transition is accompanied by an orbital-selective Mott metal-insulator transition (MIT). The lattice volume is found to collapse by about 8.5~\% at the MIT, implying a complex interplay between electronic and lattice degrees…
We investigate the ground-state phase diagram of the Kondo lattice model with classical localized spins on triangular-to-kagome lattices by using a variational calculation. We identify the parameter regions where a four-sublattice noncoplanar order is stable with a finite spin scalar chirality while changing the lattice structure from triangular to kagome continuously. Although the noncoplanar spin states appear in a wide range of parameters, the spin configurations on the kagome network become coplanar as approaching the kagome lattice; eventually, the scalar chirality vanishes for the kagome…
Hartree-Fock calculations are presented of a theoretical model describing the Sr/CaRuO$_4$ family of compounds. Both commensurate and incommensurate magnetic states are considered, along with orbital ordering and the effect of lattice distortions. For reasonable parameter values, interactions disfavor orbital disproportionation. A coherent description of the observed phase diagram is obtained.
We discuss the phase diagram of the quantum dimer model on the hexagonal (honeycomb) lattice. In addition to the columnar and staggered valence bond solids which have been discussed in previous work, we establish the existence of a plaquette valence bond solid. The transition between the plaquette and columnar phases at $v/t=-0.2 \pm 0.05$ is argued to be first order. We note that this model should describe valence bond dominated phases of frustrated Heisenberg models on the hexagonal lattice and discuss its relation to recent exact diagonalisation work by J.B. Fouet etal on the J_1-J_2 model …
We study a spin-ice Kondo lattice model on a breathing pyrochlore lattice with classical localized spins. The highly efficient kernel polynomial expansion method, together with a classical Monte Carlo method, is employed in order to study the magnetic phase diagram at four representative values of the number density of itinerant electrons. We tune the breathing mode by varying the hopping ratio -- the ratio of hopping parameters for itinerant electrons along inequivalent paths. Several interesting magnetic phases are stabilized in the phase diagram parameterized by the hopping ratio, Kondo cou…
We investigate the classical phase diagram of the stuffed honeycomb Heisenberg lattice, which consists of a honeycomb lattice with a superimposed triangular lattice formed by sites at the center of each hexagon. This lattice encompasses and interpolates between the honeycomb, triangular and dice lattices, preserving the hexagonal symmetry while expanding the phase space for potential spin liquids. We use a combination of iterative minimization, classical Monte Carlo and analytical techniques to determine the complete ground state phase diagram. It is quite rich, with a variety of non-coplanar …
In this paper we generalized the slave-particle technique to study the phase diagram of the Hubbard model on honeycomb lattice which may contain charge fluctuations. For large $U$, we have antiferromagnetic order phase. As we decrease $U$ below $U_{c2}\simeq 3t$, the system undergoes a first order phase transition into a gapped spin rotation invariant phase. Under a semiclassical approximation of the slave-particle approach, we find that such phase breaks the translation symmetry, the parity and the lattice rotation symmetry. However, beyond the semiclassical approximation, a $Z_2$ spin liquid…
Finite temperature phase boundary between superfluid phase and normal state is analytically derived by studying the stability of normal state in rotating bosonic optical lattice. We also prove that the oscillation behavior of critical hopping matrix directly follows the upper boundary of Hofstadter butterfly as the function of effective magnetic field.
The Kitaev-Heisenberg model defined on both honeycomb and triangular lattices has been studied intensively in recent years as a possible model to describe spin-orbital physics in iridium oxides. In the model, there are many phases characteristic for each lattice. However, there is no study how the phases in the two lattices merge each other when geometry changes from honeycomb lattice to triangular lattice. We investigate the ground state of the Kitaev-Heisenberg model defined on the system connecting the honeycomb and triangular lattices, named a honeycomb-triangular lattice. We obtain a grou…
The magnetic ground state phase diagram of the ferromagnetic Kondo-lattice model is constructed by calculating internal energies of all possible bipartite magnetic configurations of the simple cubic lattice explicitly. This is done in one dimension (1D), 2D and 3D for a local moment of S = 3/2. By assuming saturation in the local moment system we are able to treat all appearing higher local correlation functions within an equation of motion approach exactly. A simple explanation for the obtained phase diagram in terms of bandwidth reduction is given. Regions of phase separation are determined …
We study the spin-half Heisenberg models on an anisotropic two-dimensional lattice which interpolates between the square-lattice at one end, a set of decoupled spin-chains on the other end, and the triangular-lattice Heisenberg model in between. By series expansions around two different dimer ground states and around various commensurate and incommensurate magnetically ordered states, we establish the phase diagram for this model of a frustrated antiferromagnet. We find a particularly rich phase diagram due to the interplay of magnetic frustration, quantum fluctuations and varying dimensionali…
The strong coupling phase diagram of the spinless fermions on the anisotropic triangular lattice at half-filling is presented. The geometry of inter-site Coulomb interactions rules the phase diagram. Unconventional charge ordered phases are detected which are the recently reported pinball liquid and the striped chains. Both are induced by the quantum dynamics out of classical disordered states and afford extremely correlated metallic states and the particular domain wall-type of excitations, respectively. The disorder once killed by the quantum effect revives at the finite temperature, which i…
A topological crossover, associated with the collapse of the Fermi surface in strongly correlated Fermi systems, is examined. It is demonstrated that in these systems, the temperature domain where standard Fermi liquid results hold dramatically narrows, because the Landau regime is replaced by a classical one. The impact of the collapse of the Fermi surface on pairing correlations is analyzed. In the domain of the Lifshitz phase diagram where the Fermi surface collapses, splitting of the BCS superconducting phase transition into two different ones of the same symmetry is shown to occur.
We determine the boundary of the fully polarized ferromagnetic ground state in the one dimensional Kondo lattice model at partial conduction electron band filling by using a newly developed infinite size DMRG method which conserves the total spin quantum number. The obtained paramagnetic to ferromagnetic phase boundary is below $J \approx 3.5$ for the whole range of band filling. By this we solve the controversy in the phase diagram over the extent of the ferromagnetic region close to half filling.
Collapse of a skyrmion due to the discreteness of a crystal lattice in isotropic two-dimensional ferro- and antiferromagnets has been studied analytically and by numerical solution of equations of motion for up to 2000 x 2000 classical spins on a square lattice coupled via Heisenberg exchange interaction. Excellent agreement between analytical and numerical results has been achieved. The lifetime of the skyrmion scales with its initial size, lambda_0, as(lambda_0/a)^5 in ferromagnets and as (lambda_0/a)^2.15 in antiferromagnets, with a being the lattice parameter. This makes antiferromagnetic …
Using infinite projected entangled pair states, we study the ground state phase diagram of the spin-1 bilinear-biquadratic Heisenberg model on the square lattice directly in the thermodynamic limit. We find an unexpected partially nematic partially magnetic phase in between the antiferroquadrupolar and ferromagnetic regions. Furthermore, we describe all observed phases and discuss the nature of the phase transitions involved.
The variational cluster approximation is used to study the frustrated Hubbard model at half filling defined on the two-dimensional square lattice with anisotropic next-nearest-neighbor hopping parameters. We calculate the ground-state phase diagrams of the model in a wide parameter space for a variety of lattice geometries, including square, crossed-square, and triangular lattices. We examine the Mott metal-insulator transition and show that, in the Mott insulating phase, magnetic phases with Néel, collinear, and spiral orders appear in relevant parameter regions, and in an intermediate region…
Magnetic properties of spin $\frac 12$ $J_1-J_2$ Heisenberg antiferromagnet on body centered cubic lattice are investigated. By using two-time temperature Green's functions, sublattice magnetization and critical temperature depending on the frustration ratio $p=J_2/J_1$ are obtained in both stripe and Néel phase. The analysis of ground state sublattice magnetization and phase diagram indicates the critical end point at $J_2/J_1 =0.714$, in agreement with previous studies.
We study the phase diagram of the extended Hubbard model on the kagome lattice at 1/3 filling. By combining a configuration interaction approach to an unrestricted Hartree-Fock, we construct an effective hamiltonian which takes the correlations back on top of the mean-field solution. We obtain a rich phase diagram with, in particular, the presence of two original phases. The first one consists of polarized droplets of metal standing on the hexagons of the lattice, and an enlarged kagome charge order, inversely polarized, on the remaining sites. The second, obeying a local ice-rule type constra…
We study the ground-state phase diagram of a Bose-Fermi mixture loaded in a one-dimensional optical lattice by computing the ground-state fidelity and quantum entanglement. We find that the fidelity is able to signal quantum phase transitions between the Luttinger liquid phase, the density-wave phase, and the phase separation state of the system; and the concurrence can be used to signal the transition between the density-wave phase and the Ising phase.
Motivated by the growing interest in the novel quantum phases in materials with strong electron correlations and spin-orbit coupling, we study the interplay between the spin-orbit coupling, Kondo interaction, and magnetic frustration of a Kondo lattice model on a two-dimensional honeycomb lattice. We calculate the renormalized electronic structure and correlation functions at the saddle point based on a fermionic representation of the spin operators. We find a global phase diagram of the model at half-filling, which contains a variety of phases due to the competing interactions. In addition to…
We perform a comparative study of the finite temperature behavior of ultracold Bose atoms in optical lattices by the slave fermion and the slave boson approaches to the Bose Hubbard model. The phase diagram of the system is presented. Although both approaches are equivalent without approximations, the mean field theory based on the slave fermion technique is quantitatively more appropriate. Conceptually, the slave fermion approach automatically excludes the double occupancy of two identical fermions on the same lattice site. By comparing to known results in limiting cases, we find the slave fe…
Magnetization plateaus in quantum spin systems emerges in two-dimensional frustrated systems such as kagome lattice. The spin-1/2 antiferromagnetic Heisenberg model on square-kagome lattice is also appropriate for the study of magnetization plateau. Motivated by recent experimental finding of such a square-kagome lattice with nonequivalent three bonds, we investigate the phase diagrams and magnetization plateaus of the lattice by the exact diagonalization method. In addition to previously reported the 1/3 and 2/3 plateaus in the model with two equivalent bonds, we find a new 2/3 plateau whose …
We study an SU(2) symmetric spin-3/2 model on the z=3 Bethe lattice using the infinite Time Evolving Block Decimation (iTEBD) method. This model is shown to exhibit a rich phase diagram. We compute the expectation values of several order parameters which allow us to identify a ferromagnetic, a ferrimagnetic, a anti-ferromagnetic as well as a dimerized phase. We calculate the entanglement spectra from which we conclude the existence of a symmetry protected topological phase that is characterized by S=1/2 edge spins. Details of the iTEBD algorithm used for the simulations are included.
The Harper equation arising out of a tight-binding model of electrons on a honeycomb lattice subject to a uniform magnetic field perpendicular to the plane is studied. Contrasting and complementary approaches involving von Neumann entropy, fidelity, fidelity susceptibility, multifractal analysis are employed to characterize the phase diagram. The phase diagram consists of three phases: two metallic phases and an insulating phase. A variant model where next nearest neighbor hopping is included, exhibits a mobility edge and does not allow for a simple single phase diagram characterizing all the …
There has been a recent resurgence of experimental efforts to quantitatively determine the phase diagram of the Bose Hubbard model by carefully analyzing experiments with ultracold bosonic atoms on an optical lattice. In many realizations of these experiments, the hopping amplitudes are not homogeneous throughout the lattice, but instead, the lattice has an anisotropy where hopping along one direction is not exactly equal to hopping along a perpendicular direction. In this contribution, we examine how an anisotropy in the hopping matrix elements affects the Mott lobes of the Bose Hubbard model…
Motivated by the recent experimental realization of the Haldane model by ultracold fermions in an optical lattice, we investigate phase diagrams of the hard-core Bose-Hubbard model on a honeycomb lattice. This model is closely related with a spin-1/2 antiferromagnetic (AF) quantum spin model. Nearest-neighbor (NN) hopping amplitude is positive and it prefers an AF configurations of phases of Bose-Einstein condensates. On the other hand, an amplitude of the next-NN hopping depends on an angle variable as in the Haldane model. Phase diagrams are obtained by means of an extended path-integral Mon…
We study semiclassical dynamics of anisotropic Heisenberg models in two and three dimensions. Such models describe lattice spin systems and hard core bosons in optical lattices. We solve numerically Landau-Lifshitz type equations on a lattice and show that in the phase diagram of magnetization and interaction anisotropy, one can identify several distinct regimes of dynamics. These regions can be distinguished based on the character of one dimensional solitonic excitations, and stability of such solitons to transverse modulation. Small amplitude and long wavelength perturbations can be analyzed…
Geometric frustration adds a new competing energy scale to the antiferromagnetic (AFM) Kondo lattice model (KLM). In this work, we systematically study the doniach phase diagram on the square and triangular lattices in the same theoretical framework and reveal unexpected responses of it on the two lattices. The potential energy created by the geometric frustration is comparable to the Ruderman-Kittel-Kasuya-Yosida (RKKY) coupling, which completely suppresses the long-range antiferromagnetic (AFM) order on the half-filled triangular lattice. While, on the square lattice, the long-range AFM orde…
