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Physical review. B, Condensed matter

Transverse Ising model at zero temperature

J. W. Kim, MANFRED L. RISTIG, J. W. Clark

Published Jan 1, 1998• 16 citations
Publisher

Abstract

The method of correlated basis functions is applied at the variational level to the Ising model consisting of Pauli spins arranged on a simple cubic lattice, experiencing nearest-neighbor interactions through their $x$ components and subject to a transverse field in the $z$ direction of strength $\ensuremath{\lambda}$. Full optimization of a Hartree-Jastrow trial wave function is performed by solving two Euler-Lagrange equations: a renormalized Hartree equation for the order parameter characterizing the ferromagnetic phase and a paired-magnon equation for the optimal two-spin spatial distribution function. The optimized trial wave function yields a second-order transition with a numerically determined critical coupling of ${\ensuremath{\lambda}}_{c}=5.10$. Explicit results are presented for (i) the magnetization order parameter, (ii) the energy per spin and its potential component, (iii) the static structure function at zero wave number, (iv) the spin-exchange strength, and (v) the magnon energy gap corresponding to a Feynman description of the elementary excitations.

DOI
10.1103/physrevb.57.56

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The method of correlated basis functions is applied at the variational level to the Ising model consisting of Pauli spins arranged on a simple cubic lattice, experiencing nearest-neighbor interactions through their xxx components and subject to a transverse field in the zzz direction of strength \ensuremathλ\ensuremath{\lambda}\ensuremathλ. Full optimization of a Hartree-Jastrow trial wave function is performed by solving two Euler-Lagrange equations: a renormalized Hartree equation for the order parameter characterizing the ferromagnetic phase and a paired-magnon equation for the optimal two-spin spatial distribution function. The optimized trial wave function yields a second-order transition with a numerically determined critical coupling of \ensuremathλc=5.10{\ensuremath{\lambda}}_{c}=5.10\ensuremathλc​=5.10. Explicit results are presented for (i) the magnetization order parameter, (ii) the energy per spin and its potential component, (iii) the static structure function at zero wave number, (iv) the spin-exchange strength, and (v) the magnon energy gap corresponding to a Feynman description of the elementary excitations.
The method of correlated basis functions (CBF) is applied at the variational level to the transverse Ising model in two and three spatial dimensions (D=2,3). The model consists of Pauli spins arranged on a simple square or cubic lattice, experiencing nearest-neighbor interactions through their x components and subject to a transverse field in the z direction of strength λ. Working at zero temperature, full optimization of a Hartree-Jastrow trial wave function is performed by solving two Euler-Lagrange equations, namely a renormalized Hartree equation for the order parameter characterizing the ferromagnetic phase and a paired-magnon equation for the optimal two-spin spatial distribution function. The optimized trial wave function yields a second-order transition with a numerically determined critical coupling of λc=3.14(D=2) or λc= 5.10(D=3). Numerical results have been obtained for the magnetization order parameter, the energy per spin and its potential component, the static structure function at zero wave number, and the magnon energy gap corresponding to a Feynman description of the elementary excitations. Correlated density matrix theory provides for a natural extension of this approach to finite temperature.
Correlated-basis-function (CBF) theory, which has provided a firm foundation for ab initio calculations of the properties of quantum fluids such as liquid 4He^{4}\mathrm{He}4He, is adapted and applied at the Jastrow-Feenberg variational level to give an optimized description of the structure and of the elementary excitations of the Ising-spin model in a transverse magnetic field. A set of trial wave functions of Hartree-Jastrow form is assumed to describe the spatial correlations present in the ordered as well as the disordered ground states, and the Feynman Ansatz is consistently adopted to represent the elementary magnon states. The CBF analysis of the spin system employs the hypernetted-chain (HNC) formalism for a substitutional binary mixture of bosons and derives HNC equations for the spatial distribution functions which determine the ground-state energy expectation value. Functional variation of this quantity with respect to the magnetic order parameter and the trial states leads to two Euler-Lagrange equations, which may be interpreted as a renormalized Hartree equation for the optimal magnetization and as a paired-magnon equation for the magnetic correlation function that is analogous to the familiar paired-phonon equation for conventional quantum fluids.Numerical calculations are based on simple cubic lattices and an optimized nearest-neighbor Ansatz for the generating pseudopotential. Results are reported on the order parameter, the energy per lattice site, the transverse magnetization, and the magnon excitation energies as functions of the coupling parameter 0\ensuremath{\le}\ensuremath{\lambda}\ensuremath{\le}\ensuremath{\infty} measuring the strength of the transverse magnetic field. We also present numerical results on the magnetic correlation function, the static structure function, and the correlation length. The system exhibits a second-order phase transition at a critical value ${\ensuremath{\lambda}}_{\mathit{c}}$ of the coupling strength. Our numerical calculations of the optimal order parameter yields ${\ensuremath{\lambda}}_{\mathit{c}}$\ensuremath{\simeq}5.17 for a simple cubic lattice and ${\ensuremath{\lambda}}_{\mathit{c}}$\ensuremath{\simeq}3.12 for a square planar lattice. The calculated data are in very good agreement with results derived from perturbation expansions in conjunction with Pad\'e techniques. \textcopyright{} 1996 The American Physical Society.
The thermodynamic properties of the spin S=3/2 ferromagnetic Ising model in the presence of transverse and longitudinal crystal fields (equivalent to the Blume-Capel model with a transverse crystal field) have been studied by using two different approaches: (i) a zero-temperature mapping of the system onto a spin-1/2 quantum Ising model in longitudinal and transverse fields, together with time-independent quantum perturbation theory; and (ii) a standard mean-field approximation within the framework of the Bogoliubov inequality for the free energy. A very rich phase diagram, with different kinds of multicritical behavior, has been obtained. The results show first- and second-order transition lines, tricritical and tetracritical points, critical end points with a two-phase coexistence, double critical end points, and also double noncritical end points. Additionally, the behavior of the magnetization as a function of temperature, over a wide range of values of both longitudinal and transverse crystal fields, has also been analyzed in detail. While large magnitudes of the longitudinal crystal field select the z-spin components either in their states ±3/2 or ±1/2, it is surprising that a large transverse crystal field induces the spin component in the z direction to values ±1, which are completely different from any expected natural component. This comes indeed as a result of the zero-temperature mapping of the ground state with the superposition of the states 3/2 and -1/2, in one sector of the Hilbert space, and the states -3/2 and 1/2 on the other disjoint sector of the Hilbert space. This superposition for a large transverse crystal field prevails even for finite temperatures, implying that the exact critical points are obtained for the model on the one-dimensional lattice and the two-dimensional square lattice, and quite accurate estimates can be achieved for the three-dimensional simple cubic lattice.
A newly developed zero-temperature real-space renormalization-group method is applied to the quantum Ising model with a transverse field on different two-dimensional lattices: hexagonal, triangular, and quadratic. The order parameter, spin-spin correlation functions, the critical fields, and the critical exponents describing the low-field-large-field transition are calculated. The influence of size and shape of the spin blocks used in the iterative process is discussed. The results for triangular and hexagonal lattices are new; for the quadratic lattice the calculations show an encouraging agreement with previous series-expansion results. The expected equivalence to the critical behavior of the three-dimensional Ising model is discussed: A reasonable agreement is obtained for the hexagonal lattice.
Series for the reduced susceptibility $\overline{\ensuremath{\chi}}$, the reduced specific heat C‾H{\overline{C}}_{H}CH​, and second moment ${\ensuremath{\mu}}_{2}$ of the static correlation function for the three-dimensional S=12S=\frac{1}{2}S=21​ Ising model on both the simple cubic (sc) and face-centered cubic (fcc) lattices with different coupling strengths in different lattice directions have been analyzed to determine the crossover exponent $\ensuremath{\phi}$ describing the behavior of the critical temperature as a function of the anisotropy parameter RRR in the Hamiltonian $\mathcal{H}=\ensuremath{-}{J}_{\mathrm{xy}}\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{\mathrm{xy}}{s}_{i}{s}_{j}\ensuremath{-}{J}_{z}\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{z}{s}_{i}{s}_{j}\ensuremath{\equiv}\ensuremath{-}{J}_{\mathrm{xy}}(\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{\mathrm{xy}}{s}_{i}{s}_{j}+R\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{z}{s}_{i}{s}_{j})$. Here si=+1{s}_{i}=+1si​=+1, the first sum is over all nearest-neighbor pairs in the xy\mathrm{xy}xy plane, and the second sum is over all pairs coupled in the zzz direction. The constant gap exponent we obtain for successive derivatives of $\overline{\ensuremath{\chi}}$ and C‾H{\overline{C}}_{H}CH​ with respect to RRR confirms the exponent predictions of scaling in the parameter RRR for thermodynamic functions, while the results of the ${\ensuremath{\mu}}_{2}$ series confirm the exponent predictions of scaling with respect to RRR for the two-spin correlation function. Our results agree with the predictions for $\ensuremath{\phi}$ of Abe and Suzuki, and also with rigorous relations satisfied by the exponents describing the derivatives of the various functions. Our results do not agree with previously published results, which are based on an analysis of only the susceptibility on only the sc lattice.