No Arabic abstract
Quantum Monte Carlo simulations are used to study the magnetic and transport properties of the Hubbard Model, and its strong coupling Heisenberg limit, on a one-third depleted square lattice. This is the geometry occupied, after charge ordering, by the spin-$frac{1}{2}$ Ni$^{1+}$ atoms in a single layer of the nickelate materials La$_4$Ni$_3$O$_8$ and (predicted) La$_3$Ni$_2$O$_6$. Our model is also a description of strained graphene, where a honeycomb lattice has bond strengths which are inequivalent. For the Heisenberg case, we determine the location of the quantum critical point (QCP) where there is an onset of long range antiferromagnetic order (LRAFO), and the magnitude of the order parameter, and then compare with results of spin wave theory. An ordered phase also exists when electrons are itinerant. In this case, the growth in the antiferromagnetic structure factor coincides with the transition from band insulator to metal in the absence of interactions.
We study by Monte Carlo simulations the effect of quenched orientational disorder in systems of interacting classical dipoles on a square lattice. Each dipole can lie along any of two perpendicular axes that form an angle psi with the principal axes of the lattice. We choose psi at random and without bias from the interval [-Delta, Delta] for each site of the lattice. For 0<Delta <~ pi/4 we find a thermally driven second order transition between a paramagnetic and a dipolar antiferromagnetic order phase and critical exponents that change continously with Delta. Near the case of maximum disorder Delta ~ pi/4 we still find a second order transition at a finite temperature T_c but our results point to weak instead of {it strong} long-ranged dipolar order for temperatures below T_c.
We study the Neel to four-fold columnar valence bond solid (cVBS) quantum phase transition in a sign free $S=1$ square lattice model. This is the same kind of transition that for $S=1/2$ has been argued to realize the prototypical deconfined critical point. Extensive numerical simulations of the square lattice $S=1/2$ Neel-VBS transition have found consistency with the DCP scenario with no direct evidence for first order behavior. In contrast to the $S=1/2$ case, in our quantum Monte Carlo simulations for the $S=1$ model, we present unambiguous evidence for a direct conventional first-order quantum phase transition. Classic signs for a first order transition demonstrating co-existence including double peaked histograms and switching behavior are observed. The sharp contrast from the $S=1/2$ case is remarkable, and is a striking demonstration of the role of the size of the quantum spin in the phase diagram of two dimensional lattice models.
We study the field dependence of the antiferromagnetic spin-1/2 Heisenberg model on the square lattice by means of exact diagonalizations. In a first part, we calculate the spin-wave velocity, the spin-stiffness, and the magnetic susceptibility and thus determine the microscopic parameters of the low-energy long-wavelength description. In a second part, we present a comprehensive study of dynamical spin correlation functions for magnetic fields ranging from zero up to saturation. We find that at low fields, magnons are well defined in the whole Brillouin zone, but the dispersion is substantially modified by quantum fluctuations compared to the classical spectrum. At higher fields, decay channels open and magnons become unstable with respect to multi-magnon scattering. Our results directly apply to inelastic neutron scattering experiments.
Order-disorder transitions are widely explored in various vortex structures in condensed matter physics, i.e., in the type-II superconductors and Bose-Einstein condensates. In this study, we have investigated the ordering of the polar vortex phase in the (PZT)n/(STO)n superlattice systems through phase-field simulations. An antiorder state is discovered for short periodicity superlattice on an SSO substrate, owing to the huge interfacial coupling between PZT and STO as well as the giant in-plane polarization in STO layers due to the large tensile strain. Increasing the periodicity leads to the anti-order to disorder transition, resulting from the loss of interfacial coupling and disappearance of the polarization in STO layers. On the other hand, for short periodicity superlattices, order-disorder-antiorder transition can be engineered by mediating the substrate strain, due to the delicate competition between the depoling effect, interfacial coupling, and strain effect. We envision this study to spur further interest towards the understanding of order-disorder transition in ferroelectric topological structures.
The thermal properties of antiferromagnetic films -- in particular, the square-lattice antiferromagnet -- subjected to an external magnetic field pointing into the direction of the staggered magnetization are explored. The effective field theory analysis of the free energy density is carried out to two-loop order. While the emphasis is on finite temperature, we also discuss the behavior of the magnetization and staggered magnetization at zero temperature. Our results imply that the staggered magnetization increases in presence of the magnetic field -- reminiscent of magnetic catalysis. Most remarkably, if staggered and magnetic field strength are kept fixed, the magnetization initially grows when temperature increases.