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Physical review. B, Condensed matter

Variational quantum Monte Carlo calculation of the effective spin Landégfactor in a two-dimensional electron system

Jung Hun Oh, K. J. Chang

Published Aug 15, 1996• 7 citations
Publisher

Abstract

We calculate the ground-state energy and the effective spin Land\'e g factor (${\mathit{g}}^{\mathrm{*}}$) of a two-dimensional electron gas in strong magnetic fields using a variational Monte Carlo method and many-body trial wave functions composed of the Jastrow correlation factor and the Laughlin-type functions. We find that ${\mathit{g}}^{\mathrm{*}}$ increases with decreasing of electron density and also shows increasing behavior as the filling factor \ensuremath{\nu} decreases in the region of 12. At \ensuremath{\nu}=1.0, ${\mathit{g}}^{\mathrm{*}}$ is estimated to be about 11 for a dimensionless parameter ${\mathit{r}}_{\mathit{s}}$=1.33, as compared to the measured value of 7.3, while considering impurity and phonon scatterings gives a better agreement of ${\mathit{g}}^{\mathrm{*}}$=9. \textcopyright{} 1996 The American Physical Society.

DOI
10.1103/physrevb.54.4948

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Excitations of the two-dimensional electron gas, including many-body effects, are calculated with a variational Monte Carlo method. Correlated sampling is introduced to calculate small energy differences between different excitations. The usual pair-product (Slater-Jastrow) trial wave function is found to lack certain correlations entirely so that backflow correlation is crucial. From the excitation energies calculated here, we determine Fermi-liquid parameters and related physical quantities such as the effective mass and the Land\'e g factor of the system. Our results for the effective mass are compared with previous analytic calculations.
We have used the variational and diffusion quantum Monte Carlo methods to calculate the energy, pair-correlation function, static structure factor, and momentum density of the ground state of the two-dimensional (2D) homogeneous electron gas. We have used highly accurate Slater-Jastrow-backflow trial wave functions and twist averaging to reduce finite-size effects where applicable. We compare our results with others in the literature and construct a local-density-approximation exchange-correlation functional for 2D systems.
The two-dimensional Wigner crystals are studied with the variational quantum Monte Carlo method. The close relationship between the ground-state wave function and the collective excitations in the system is illustrated, and used to guide the construction of the ground-state wave function of the strongly correlated solid. Exchange, correlation, and magnetic-field effects all give rise to distinct physical phenomena. In the absence of any external magnetic field, interesting spin orderings are observed in the ground state of the electron crystal in various two-dimensional lattices. In particular, two-dimensional bipartite lattices are shown not to lead necessarily to an antiferromagnetic ground state. In the quantum Hall effect regime, a strong magnetic field introduces energy and length scales. The magnetic field quenches the kinetic energy and poses constraints on how the electrons may correlate with each other. Care is taken to ensure the appropriate translational properties of the wave function when the system is in a uniform magnetic field. We have examined the exchange, intra-Landau-level correlation as well as Landau-level-mixing effects with various variational wave functions. We also determine their dependences on the experimental parameters such as the carrier effective mass at a modulation-doped semiconductor heterojunction. Our results, when combined with some recent calculations for the energy of the fractional quantum Hall liquid including Landau-level-mixing, show quantitatively that in going from n doping to p doping in GaAs/Alx{\mathrm{Al}}_{\mathit{x}}Alx​${\mathrm{Ga}}_{1\mathrm{\ensuremath{-}}\mathit{x}}$As heterojunction systems, the crossover filling factor from the fractional quantum Hall liquid to the Wigner crystal changes from filling factor \ensuremath{\nu}\ensuremath{\sim}1/5 to \ensuremath{\nu}\ensuremath{\sim}1/3. This lends strong support to the claim that the observed reentrant insulating phases around \ensuremath{\nu}=1/5 for n-doped and around \ensuremath{\nu}=1/3 for p-doped high-mobility samples are primarily caused by electron-electron interaction effects. We discuss the possible implications of our theoretical results for some recent experiments carried out in the quantum Hall regime in search of the electron solid.
We propose a ground-state trial wave function for a two-dimensional Wigner crystal in a strong perpendicular magnetic field. The wave function includes Laughlin-Jastrow correlations between electron pairs, and may be interpreted as a crystal state of composite fermions or composite bosons. Treating the power mmm of the Laughlin-Jastrow factor as a variational parameter, we use quantum Monte Carlo simulations to compute the energy of these new states. We find that our wave functions have lower energy than existing crystalline wave functions in the lowest Landau level. Our results are consistent with experimental observations of the filling factor at which the transition between the fractional quantum Hall liquid and the Wigner crystal occurs for electron systems. Exchange contributions to the wave functions are estimated quantitatively and shown to be negligible for sufficiently small filling factors.
Following previous work in which a variational method for the many-body problem was proposed wherein an effective potential $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{V}$ was introduced as a variational parameter to construct a trial wave function, we apply the method to the two-dimensional electron gas. In the method, every physical quantity is expanded in powers of $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{V}$ instead of the bare potential as in the usual perturbation-theoretic approach. Because of this choice of expansion parameter, the expansion series converges rapidly even in the strong-coupling region. The result for the correlation energy in the two-dimensional electron gas agrees very well with that given by the variational Monte Carlo method even in the lowest-order calculation (i.e., to second order in $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{V}$). The difference is within several percent for 1<rs<1001<{r}_{s}<1001<rs​<100.
We have studied the spin-polarized three-dimensional homogeneous electron gas using the diffusion quantum Monte Carlo method, with trial wave functions including backflow and three-body correlations in the Jastrow factor, and we have used twist averaging to reduce finite-size effects. Calculations of the pair-correlation function, including the on-top pair density, as well as the structure factor and the total energy, are reported for systems of 118 electrons in the density range rs=0.5{r}_{\mathrm{s}}=0.5rs​=0.5--20 a.u., and for spin polarizations of 0, 0.34, 0.66, and 1. We consider the spin resolution of the pair-correlation function and structure factor, and the energy of spin polarization. We show that a control variate method can reduce the variance when twist averaging, and we have achieved higher accuracy and lower noise than earlier quantum Monte Carlo studies.