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B. Davoudi

Publications and source records attributed to B. Davoudi.

29 records · Page 2Linked to original sources

Self-consistent theory of pair distribution functions and effective interactions in quantum Coulomb liquids

We use a density-functional theoretical approach to set up a computationally simple self-consistent scheme to calculate the pair distribution functions and the effective interactions in quantum Coulomb liquids. We demonstrate the accuracy of the approach for different statistics and space dimensionalities by reporting results for a two-dimensional electron gas and for a three-dimensional boson plasma over physically relevant ranges of coupling strength, in comparison with Monte Carlo data.

cond-mat.str-el↗

Self-consistent Overhauser model for the pair distribution function of an electron gas in dimensionalities D=3 and D=2

We present self-consistent calculations of the spin-averaged pair distribution function $g(r)$ for a homogeneous electron gas in the paramagnetic state in both three and two dimensions, based on an extension of a model that was originally proposed by A. W. Overhauser [Can. J. Phys. {\bf 73}, 683 (1995)] and further evaluated by P. Gori-Giorgi and J. P. Perdew [Phys. Rev. B {\bf 64}, 155102 (2001)]. The model involves the solution of a two-electron scattering problem via an effective Coulombic potential, that we determine within a self-consistent Hartree approximation. We find numerical results for $g(r)$ that are in excellent agreement with Quantum Monte Carlo data at low and intermediate coupling strength $r_s$, extending up to $r_s\approx 10$ in dimensionality D=3. However, the Hartree approximation does not properly account for the emergence of a first-neighbor peak at stronger coupling, such as at $r_s=5$ in D=2, and has limited accuracy in regard to the spin-resolved components $g_{\uparrow\uparrow}(r)$ and $g_{\uparrow\downarrow}(r)$. We also report calculations of the electron-electron s-wave scattering length, to test an analytical expression proposed by Overhauser in D=3 and to present new results in D=2 at moderate coupling strength. Finally, we indicate how this approach can be extended to evaluate the pair distribution functions in inhomogeneous electron systems and hence to obtain improved exchange-correlation energy functionals.

cond-mat.str-el↗

Single-particle density matrix and superfluidity in the two-dimensional Bose Coulomb fluid

A study by W. R. Magro and D. M. Ceperley [Phys. Rev. Lett. {\bf 73}, 826 (1994)] has shown that the ground state of the two-dimensional fluid of charged bosons with logarithmic interactions is not Bose-condensed, but exhibits algebraic off-diagonal order in the single-particle density matrix $ρ(r)$. We use a hydrodynamic Hamiltonian expressed in terms of density and phase operators, in combination with an $f$-sum rule on the superfluid fraction, to reproduce these results and to extend the evaluation of the density matrix to finite temperature $T$. This approach allows us to treat the liquid as a superfluid in the absence of a condensate. We find that (i) the off-diagonal order arises from the correlations between phase fluctuations; and (ii) the exponent in the power-law decay of $ρ(r)$ is determined by the superfluid density $n_s(T)$. We also find that the plasmon gap in the single-particle energy spectrum at long wavelengths decreases with increasing $T$ and closes at the critical temperature for the onset of superfluidity.

cond-mat.stat-mech↗

Unpaired and spin-singlet paired states of a two-dimensional electron gas in a perpendicular magnetic field

We present a variational study of both unpaired and spin-singlet paired states induced in a two-dimensional electron gas at low density by a perpendicular magnetic field. It is based on an improved circular-cell approximation which leads to a number of closed analytical results. The ground-state energy of the Wigner crystal containing a single electron per cell in the lowest Landau level is obtained as a function of the filling factor $ν$: the results are in good agreement with those of earlier approaches and predict $ν_{c} \approx 0.25$ for the upper filling factor at which the solid-liquid transition occurs. A novel localized state of spin-singlet electron pairs is examined and found to be a competitor of the unpaired state for filling factor $ν>1$. The corresponding phase boundary is quantitatively displayed in the magnetic field-electron density plane.

cond-mat.str-el↗

Hartree-Fock-Bogoliubov theory of a charged Bose gas at finite temperature

We critically examine the Hartree-Fock-Bogoliubov (HFB) solution of the equations of motion for condensate fluctuations in a weakly coupled plasma of charged bosons at finite temperature. Analytic expressions are derived for the first two infrared-divergent terms in both the momentum distribution of the noncondensate and the anomalous Bose correlation function at low momenta. Incorporation into the theory of the appropriate form of the Hugenholtz-Pines relation for the chemical potential is needed to cancel an unphysical divergence. Exact cancellation of infrared-divergent terms is demonstrated in the HFB shift of the single-particle excitation energy away from the Bogoliubov value at long wavelengths, with the residual terms raising it towards the plasma frequency at low temperature. Numerical illustrations are presented for a number of properties of the boson plasma as functions of temperature and density in the weak-coupling regime: these are the chemical potential, the condensate fraction, the normal and anomalous momentum distribution functions and the corresponding one-body density matrices, and the dispersion relation of single-particle excitations.

cond-mat.stat-mech↗

Effective interactions between parallel-spin electrons in two-dimensional jellium approaching the magnetic phase transition

We evaluate the effective interactions in a fluid of electrons moving in a plane, on the approach to the quantum phase transition from the paramagnetic to the fully spin-polarized phase that has been reported from Quantum Monte Carlo runs. We use the approach of Kukkonen and Overhauser to treat exchange and correlations under close constraints imposed by sum rules. We show that, as the paramagnetic fluid approaches the phase transition, the effective interactions at low momenta develop an attractive region between parallel-spin electrons and a corresponding repulsive region for antiparallel-spin electron pairs. A connection with the Hubbard model is made and used to estimate the magnetic energy gap and hence the temperature at which the phase transition may become observable with varying electron density in a semiconductor quantum well.

cond-mat.str-el↗

Hard-core Yukawa model for two-dimensional charge stabilized colloids

The hyper-netted chain (HNC) and Percus-Yevick (PY) approximations are used to study the phase diagram of a simple hard-core Yukawa model of charge-stabilized colloidal particles in a two-dimensional system. We calculate the static structure factor and the pair distribution function over a wide range of parameters. Using the statics correlation functions we present an estimate for the liquid-solid phase diagram for the wide range of the parameters.

cond-mat.stat-mech↗

Spin polarization in a two-dimensional electron gas

We evaluate the charge and longitudinal spin response functions of a two-dimensional electron gas with $e^2/r$ interactions in an arbitrary state of spin polarization, using a structurally self-consistent approach to treat exchange and correlations. From the results we assess the nature of the magnetic order in the electronic ground state in zero magnetic field as a function of electron density. We find that states of partial spin polarization are thermodynamically unstable at all values of the coupling strength and that a first-order phase transition occurs with increasing coupling strength from the magnetically disorderd (paramagnetic) phase to the fully spin-polarized (ferromagnetic) phase. This behavior is in qualitative agreement with diffusion Monte Carlo data, although the location of the phase transition is underestimated in our calculations.

cond-mat.str-el↗

Analytical expressions for the spin-spin local-field factor and the spin-antisymmetric exchange-correlation kernel of a two-dimensional electron gas

We present an analytical expression for the static many-body local field factor $G_{-}(q)$ of a homogeneous two-dimensional electron gas, which reproduces Diffusion Monte Carlo data and embodies the exact asymptotic behaviors at both small and large wave number $q$. This allows us to also provide a closed-form expression for the spin-antisymmetric exchange and correlation kernel $K^{-}_{xc}(r)$ which represents a key input for spin-density functional studies of inhomogeneous electronic systems.

cond-mat.str-el↗

Analytical expressions for the charge-charge local-field factor and the exchange-correlation kernel of a two-dimensional electron gas

We present an analytical expression for the static many-body local field factor $G_{+}(q)$ of a homogeneous two-dimensional electron gas, which reproduces Diffusion Monte Carlo data and embodies the exact asymptotic behaviors at both small and large wave number $q$. This allows us to also provide a closed-form expression for the exchange and correlation kernel $K_{xc}(r)$, which represents a key input for density functional studies of inhomogeneous systems.

cond-mat.str-el↗