Sine-square deformation (SSD) is a treatment proposed in quantum systems, which spatially modifies a Hamiltonian, gradually decreasing the local energy scale from the center of the system toward the edges by a sine-squared envelope function. It is kn
own to serve as a good boundary condition as well as to provide physical quantities reproducing those of the infinite-size systems. We apply the SSD to one- and two-dimensional classical Ising models. Based on the analytical calculations and Monte Carlo simulations, we find that the classical SSD system is regarded as an extended canonical ensemble of a local subsystem each characterized by its own effective temperature. This effective temperature is defined by normalizing the system temperature by the deformed local energy scale. A single calculation for a fixed system temperature provides a set of physical quantities of various temperatures that quantitatively reproduce well those of the uniform system.
Spin-orbit interaction established itself as a major role player for emergent phenomena in modern condensed matter including a topological insulator, spin liquid and spin-dependent transports. However, its function is rather limited to adding topolog
ical nature to each phases of matter. We prove by our spinor line graph theory that a very strong spin-orbit interaction realized in 5d pyrochlore electronic systems generates multiply degenerate perfect flat bands. Unlike any of the previous flat bands, the electrons living there localize in real space by destructively interfering with each other in a spin selective manner ruled by the SU(2) gauge field. These electrons avoid the Coulomb interaction by self-organizing their localized wave functions. This gives rise to the trimerized charge ordering hand in hand with a stiff spin chirality, which may explain the recently found exotic low-temperature insulating phase of CsW2O6.
We examine the performance of the density matrix embedding theory (DMET) recently proposed in [G. Knizia and G. K.-L. Chan, Phys. Rev. Lett. 109, 186404 (2012)]. The core of this method is to find a proper one-body potential that generates a good tri
al wave function for projecting a large scale original Hamiltonian to a local subsystem with a small number of basis. The resultant ground state of the projected Hamiltonian can locally approximate the true ground state. However, the lack of the variational principle makes it difficult to judge the quality of the choice of the potential. Here we focus on the entanglement spectrum (ES) as a judging criterion; accurate evaluation of the ES guarantees that the corresponding reduced density matrix well reproduces all physical quantities on the local subsystem. We apply the DMET to the Hubbard model on the one-dimensional chain, zigzag chain, and triangular lattice and test several variants of potentials and cost functions. It turns out that ES serves as a more sensitive quantity than the energy and double occupancy to probe the quality of the DMET outcomes. A symmetric potential reproduces the ES of the phase that continues from a noninteracting limit. The Mott transition as well as symmetry-breaking transitions can be detected by the singularities in the ES. However, the details of the ES in the strongly interacting parameter region depends much on these variants, meaning that the present DMET algorithm allowing for numerous variant is insufficient to fully characterize the particular phases that require characterization by the ES.
Entanglement related properties work as nice fingerprint of the quantum many-body wave function. However, those of fermionic models are hard to evaluate in standard numerical methods because they suffer from finite size effects. We show that a so-cal
led density embedding theory (DET) can evaluate them without size scaling analysis in comparably high quality with those obtained by the large-size density matrix renormalization group analysis. This method projects the large scale original many-body Hamiltonian to the small number of basis sets defined on a local cluster, and optimizes the choice of these bases by tuning the local density matrix. The DET entanglement spectrum of one-dimensional interacting fermions perfectly reproduces the exact ones and works as a marker of the phase transition point. It is further shown that the phase transitions in two-dimension could be determined by the entanglement entropy and the fidelity that reflects the change of the structure of the wave function.
We study numerically the thermodynamic properties of the spin nematic phases in a magnetic field in the spin-1 bilinear-biquadratic model. When the field is applied, the phase transition temperature once goes up and then decreases rapidly toward zero
, which is detected by the peak-shift in the specific heat. The underlying mechanism of the reentrant behavior is the entropic effect. In a weak field the high temperature paramagnetic phase rapidly loses its entropy while the ferroquadrupolar nematic phase remains robust by modifying the shape of the ferroquadrupolar moment. This feature serves as a fingerprint of generic ferroquadrupolar phases, while it is not observed for the case of antiferroquadrupoles.
We theoretically show that the Kitaev interaction generates a novel class of spin texture in the excitation spectrum of the antiferromagnetic insulator found in the Kitaev-Heisenberg-$Gamma$ model. In conducting electronic systems, there is a series
of vortex type of spin texture along the Fermi surface induced by Rashba and Dresselhaus spin-orbit coupling. Such spin textures are rarely found in magnetic insulators, since there had been no systematic ways to control the kinetics of its quasi-particle called magnon using a magnetic field or spacially asymmetric exchange couplings. Here, we propose a general framework to explore such spin textures in arbitrary insulating antiferromagnets. We introduce an analytical method to transform any complicated Hamiltonian to the simple representation based on pseudo-spin degrees of freedom. The direction of the pseudo-spin on a Bloch sphere describes the degree of contributions from the two magnetic sublattices to the spin moment carried by the magnon. The momentum dependent fictitious Zeeman field determines the direction of the pseudo-spin and thus becomes the control parameter of the spin texture, which is explicitly described by the original model parameters. The framework enabled us to clarify the uncovered aspect of the Kitaev interaction, and further provides a tool to easily design or explore materials with intriguing magnetic properties. Since these spin textures can be a source of a pure spin current, the Kitaev materials $A_{2}$PrO$_{3}$ ($A$ =Li, Na) shall become a potential platform of power-saving spintronics devices.
We explore several classes of quadrupolar ordering in a system of antiferromagnetically coupled quantum spin-1 dimers, which are stacked in the triangular lattice geometry forming a bilayer. Low-energy properties of this model is described by an $mat
hcal{S}=1$ hard-core bosonic degrees of freedom defined on each dimer-bond, where the singlet and triplet states of the dimerized spins are interpreted as the vacuum and the occupancy of boson, respectively. The number of bosons per dimer and the magnetic and density fluctuations of bosons are controlled by the inter-dimer Heisenberg interactions. In a solid phase where each dimer hosts one boson and the inter-dimer interaction is weak, a conventional spin nematic phase is realized by the pair-fluctuation of bosons. Larger inter-dimer interaction favors Bose Einstein condensates (BEC) carrying quadrupolar moments. Among them, we find one exotic phase where the quadrupoles develop a spatially modulated structure on the top of a uniform BEC, interpreted in the original dimerized spin-1 model as coexistent $p$-type nematic and 120$^circ$-magnetic correlations. This may explain an intriguing nonmagnetic phase found in Ba$_{3}$ZnRu$_{2}$O$_{9}$.
We show theoretically that spin and orbital degrees of freedom in the pyrochlore oxide Y2Mo2O7, which is free of quenched disorder, can exhibit a simultaneous glass transition, working as dynamical randomness to each other. The interplay of spins and
orbitals is mediated by the Jahn-Teller lattice distortion that selects the choice of orbitals, which then generates variant spin exchange interactions ranging from ferromagnetic to antiferromagnetic ones. Our Monte Carlo simulations detect the power-law divergence of the relaxation times and the negative divergence of both the magnetic and dielectric non-linear susceptibilities, resolving the long-standing puzzle on the origin of the disorder-free spin glass.
We develop a simple and unbiased numerical method to obtain the uniform susceptibility of quantum many body systems. When a Hamiltonian is spatially deformed by multiplying it with a sine square function that smoothly decreases from the system center
toward the edges, the size-scaling law of the excitation energy is drastically transformed to a rapidly converging one. Then, the local magnetization at the system center becomes nearly size independent; the one obtained for the deformed Hamiltonian of a system length as small as L=10 provides the value obtained for the original uniform Hamiltonian of L=100. This allows us to evaluate a bulk magnetic susceptibility by using the magnetization at the center by existing numerical solvers without any approximation, parameter tuning, or the size-scaling analysis. We demonstrate that the susceptibilities of the spin-1/2 antiferromagnetic Heisenberg chain and square lattice obtained by our scheme at L=10 agree within 10 to (-3) with exact analytical and numerical solutions for L=infinite down to temperature of 0.1 times the coupling constant. We apply this method to the spin-1/2 kagome lattice Heisenberg antiferromagnet which is of prime interest in the search of spin liquids.
We present a framework to elucidate the existence of accidental contacts of energy bands, particularly those called Dirac points which are the point contacts with linear energy dispersions in their vicinity. A generalized von-Neumann-Wigner theorem w
e propose here gives the number of constraints on the lattice necessary to have contacts without fine tuning of lattice parameters. By counting this number, one could quest for the candidate of Dirac systems without solving the secular equation. The constraints can be provided by any kinds of symmetry present in the system. The theory also enables the analytical determination of k-point having accidental contact by selectively picking up only the degenerate solution of the secular equation. By using these frameworks, we demonstrate that the Dirac points are feasible in various two-dimensional lattices, e.g. the anisotropic Kagome lattice under inversion symmetry is found to have contacts over the whole lattice parameter space. Spin-dependent cases, such as the spin-density-wave state in LaOFeAs with reflection symmetry, are also dealt with in the present scheme.
