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Physical Review B

Ground state properties of a laterally confined two-dimensional electron gas

Lucia Dandrea, Francesco Pederiva, E. Lipparini

Published Apr 27, 2009• 0 citations
Publisher

Abstract

We present an accurate diffusion Monte Carlo computation of the ground state of a two-dimensional electron gas laterally confined by a harmonic potential in the effective mass-dielectric constant approximation. The computation is made explicitly including the second dimension, and can therefore address the occurrence of phase transitions in the system. The system was studied as a function of the one-dimensional Wigner-Seitz parameter ${r}_{s}=1/2{\ensuremath{\rho}}^{1\text{D}}$ in the range $0.5\ensuremath{\le}{r}_{s}\ensuremath{\le}7$. The ground state is found to be spin polarized for ${r}_{s}>3$.

DOI
10.1103/physrevb.79.155321

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We present an accurate diffusion Monte Carlo computation of the ground state of a two-dimensional electron gas laterally confined by a harmonic potential in the effective mass-dielectric constant approximation. The computation is made explicitly including the second dimension, and can therefore address the occurrence of phase transitions in the system. The system was studied as a function of the one-dimensional Wigner-Seitz parameter rs=1/2\ensuremathρ1D{r}_{s}=1/2{\ensuremath{\rho}}^{1\text{D}}rs​=1/2\ensuremathρ1D in the range 0.5\ensuremath≤rs\ensuremath≤70.5\ensuremath{\le}{r}_{s}\ensuremath{\le}70.5\ensuremath≤rs​\ensuremath≤7. The ground state is found to be spin polarized for rs>3{r}_{s}>3rs​>3.
We study the ground state properties of a quasi-one-dimensional electron gas interacting via an effective potential with a harmonic transversal confinement and long-range Coulomb tail. The exact correlation energy has been calculated for a wide range of electron densities by using the lattice regularized diffusion Monte Carlo method, which is a recent development of the standard projection Monte Carlo technique. In this case it is particularly useful as it allows one to sample the exact ground state of the system, even in the low-density regime when the exchange between electrons is extremely small. For different values of the width parameter bbb $(0.1\phantom{\rule{0.3em}{0ex}}{a}_{0}^{*}\ensuremath{\leqslant}b\ensuremath{\leqslant}4\phantom{\rule{0.3em}{0ex}}{a}_{0}^{*})$, we give a simple parametrization of the correlation energy, which provides an accurate local density energy functional for quasi-one-dimensional systems. Moreover, we show that static correlations are in qualitative agreement with those obtained for the Luttinger liquid model with long-range interactions.
Variational and fixed-node Green's-function Monte Carlo calculations have been performed to find the ground-state properties of the two-dimensional electron gas in the density range 1\ensuremath{\le}rs{r}_{s}rs​\ensuremath{\le}100. Our calculations predict a Wigner crystallization at the density rs{r}_{s}rs​\ensuremath{\simeq}37\ifmmode\pm\else\textpm\fi{}5. The electron system is found to be in the normal- (paramagnetic) fluid state below the transition density, but the fully polarized state is very close in energy. We have tabulated the values of pair distribution function g(r), the static structure factor S(k), and the momentum distribution n(k) at several densities of interest both in the normal and the polarized phases. An estimate of the spin susceptibility \ensuremath{\chi} is also given.
We derive an approximate analytic formula for the ground-state energy of the charged anyon gas. Our approach is based on the harmonically confined two-dimensional (2D) Coulomb anyon gas and a regularization procedure for vanishing confinement. To take into account the fractional statistics and Coulomb interaction we introduce a function, which depends on both the statistics and density parameters ($\ensuremath{\nu}$ and rs{r}_{s}rs​, respectively). We determine this function by fitting to the ground-state energies of the classical electron crystal at very large rs{r}_{s}rs​ (the 2D Wigner crystal), and to the Hartree-Fock (HF) energy of the spin-polarized 2D electron gas, and the dense 2D Coulomb Bose gas at very small rs{r}_{s}rs​. The latter is calculated by use of the Bogoliubov approximation. Applied to the boson system $(\ensuremath{\nu}=0)$ our results are very close to recent results from Monte Carlo (MC) calculations. For spin-polarized electron systems $(\ensuremath{\nu}=1)$ our comparison leads to a critical judgment concerning the density range, to which the HF approximation and MC simulations apply. In dependence on $\ensuremath{\nu}$, our analytic formula yields ground-state energies, which monotonously increase from the bosonic to the fermionic side if rs>1{r}_{s}>1rs​>1. For ${r}_{s}\ensuremath{\leqslant}1$ it shows a nonmonotonous behavior indicating a breakdown of the assumed continuous transformation of bosons into fermions by variation of the parameter $\ensuremath{\nu}$.
The two-dimensional electron gas is of fundamental importance in quantum many-body physics. We study a minimal extension of this model with C_{4} (as opposed to full rotational) symmetry and an electronic dispersion with two valleys with anisotropic effective masses. Electrons in our model interact via Coulomb repulsion, screened by distant metallic gates. Using variational Monte Carlo simulations, we find a broad intermediate range of densities with a metallic valley-polarized, spin-unpolarized ground state. Our results are of direct relevance to the recently discovered "nematic" state in AlAs quantum wells. For the effective mass anisotropy relevant to this system, m_{x}/m_{y}≈5.2, we obtain a transition from an anisotropic metal to a valley-polarized metal at r_{s}≈12 (where r_{s} is the dimensionless Wigner-Seitz radius). At still lower densities, we find a (possibly metastable) valley and spin-polarized state with a reduced electronic anisotropy.
We present a numerical study of magnetic phases of the 2D electron gas near freezing. The calculations are performed by diffusion Monte Carlo in the fixed-node approximation. At variance with the 3D case we find no evidence for the stability of a partially polarized phase. With plane wave nodes in the trial function, the polarization transition takes place at r s = 20, whereas the best available estimates locate Wigner crystallization around r s = 35. Using an improved nodal structure, featuring optimized backflow correlations, we confirm the existence of a stability range for the polarized phase, although somewhat shrunk, at densities achievable nowadays in 2-dimensional hole gases in semiconductor heterostructures. The spin susceptibility of the unpolarized phase at the magnetic transition is approximately 30 times the Pauli susceptibility.