arXiv subjects

Raimundo R. dos Santos

Publications and source records attributed to Raimundo R. dos Santos.

At least 37 records · Page 2Linked to original sources

arXiv2014

Size and shape of Mott regions for fermionic atoms in a two-dimensional optical lattice

We investigate the harmonic-trap control of size and shape of Mott regions in the Fermi Hubbard model on a square optical lattice. The use of Lanczos diagonalization on clusters with twisted boundary conditions, followed by an average over 50-80 samples, drastically reduce finite-size effects in some ground state properties; calculations in the grand canonical ensemble together with a local-density approximation (LDA) allow us to simulate the radial density distribution. We have found that as the trap closes, the atomic cloud goes from a metallic state, to a Mott core, and to a Mott ring; the coverage of Mott atoms reaches a maximum at the core-ring transition. A `phase diagram' in terms of an effective density and the on-site repulsion is proposed, as a guide to maximize the Mott coverage. We also predict that the usual experimentally accessible quantities, the global compressibility and the average double occupancy (rather, its density derivative) display detectable signatures of the core-ring transition. Some spin correlation functions are also calculated, and predict the existence Néel ordering within Mott cores and rings.

cond-mat.quant-gas↗

arXiv2012

Finite-size effects in transport data from Quantum Monte Carlo simulations

We have examined the behavior of the compressibility, the dc-conductivity, the single-particle gap, and the Drude weight as probes of the density-driven metal-insulator transition in the Hubbard model on a square lattice. These quantities have been obtained through determinantal quantum Monte Carlo simulations at finite temperatures on lattices up to 16 X 16 sites. While the compressibility, the dc-conductivity, and the gap are known to suffer from `closed-shell' effects due to the presence of artificial gaps in the spectrum (caused by the finiteness of the lattices), we have established that the former tracks the average sign of the fermionic determinant ( ), and that a shortcut often used to calculate the conductivity may neglect important corrections. Our systematic analyses also show that, by contrast, the Drude weight is not too sensitive to finite-size effects, being much more reliable as a probe to the insulating state. We have also investigated the influence of the discrete imaginary-time interval (Δτ) on , on the average density (ρ), and on the double occupancy (d): we have found that and ρare more strongly dependent on Δτaway from closed-shell configurations, but d follows the Δτ^2 dependence in both closed- and open-shell cases.

cond-mat.str-el↗

arXiv2008

Disordered two-dimensional superconductors: roles of temperature and interaction strength

We have considered the half-filled disordered attractive Hubbard model on a square lattice, in which the on-site attraction is switched off on a fraction $f$ of sites, while keeping a finite $U$ on the remaining ones. Through Quantum Monte Carlo (QMC) simulations for several values of $f$ and $U$, and for system sizes ranging from $8\times 8$ to $16\times 16$, we have calculated the configurational averages of the equal-time pair structure factor $P_s$, and, for a more restricted set of variables, the helicity modulus, $ρ_s$, as functions of temperature. Two finite-size scaling {\it ansatze} for $P_s$ have been used, one for zero-temperature and the other for finite temperatures. We have found that the system sustains superconductivity in the ground state up to a critical impurity concentration, $f_c$, which increases with $U$, at least up to U=4 (in units of the hopping energy). Also, the normalized zero-temperature gap as a function of $f$ shows a maximum near $f\sim 0.07$, for $2\lesssim U\lesssim 6$. Analyses of the helicity modulus and of the pair structure factor led to the determination of the critical temperature as a function of $f$, for $U=3,$ 4 and 6: they also show maxima near $f\sim 0.07$, with the highest $T_c$ increasing with $U$ in this range. We argue that, overall, the observed behavior results from both the breakdown of CDW-superconductivity degeneracy and the fact that free sites tend to "push" electrons towards attractive sites, the latter effect being more drastic at weak couplings.

cond-mat.supr-con↗

arXiv2005

Disorder and the effective Mn-Mn exchange interaction in Ga$_{1-x}$Mn$_x$As diluted magnetic semiconductors

We perform a theoretical study, using {\it ab initio} total energy density-functional calculations, of the effects of disorder on the $Mn-Mn$ exchange interactions for $Ga_{1-x}Mn_xAs$ diluted semiconductors. For a 128 atoms supercell, we consider a variety of configurations with 2, 3 and 4 Mn atoms, which correspond to concentrations of 3.1%, 4.7%, and 6.3%, respectively. In this way, the disorder is intrinsically considered in the calculations. Using a Heisenberg Hamiltonian to map the magnetic excitations, and {\it ab initio} total energy calculations, we obtain the effective $\JMn$, from first ($n=1$) all the way up to sixth ($n=6$) neighbors. Calculated results show a clear dependence in the magnitudes of the $\JMn$ with the Mn concentration $x$. Also, configurational disorder and/or clustering effects lead to large dispersions in the Mn-Mn exchange interactions, in the case of fixed Mn concentration. Moreover, theoretical results for the ground-state total energies for several configurations indicate the importance of a proper consideration of disorder in treating temperature and annealing effects.

cond-mat.mtrl-sci↗

arXiv2005

Destruction of Superconductivity by Impurities in the Attractive Hubbard Model

We study the effect of U=0 impurities on the superconducting and thermodynamic properties of the attractive Hubbard model on a square lattice. Removal of the interaction on a critical fraction of $f_{\rm crit} \approx 0.30$ of the sites results in the destruction of off-diagonal long range order in the ground state. This critical fraction is roughly independent of filling in the range $0.75 < ρ< 1.00$, although our data suggest that $f_{\rm crit}$ might be somewhat larger below half-filling than at $ρ=1$. We also find that the two peak structure in the specific heat is present at $f$ both below and above the value which destroys long range pairing order. It is expected that the high $T$ peak associated with local pair formation should be robust, but apparently local pairing fluctuations are sufficient to generate a low temperature peak.

cond-mat.supr-con↗

arXiv2004

Critical temperature for the two-dimensional attractive Hubbard Model

The critical temperature for the attractive Hubbard model on a square lattice is determined from the analysis of two independent quantities, the helicity modulus, $ρ_s$, and the pairing correlation function, $P_s$. These quantities have been calculated through Quantum Monte Carlo simulations for lattices up to $18\times 18$, and for several densities, in the intermediate-coupling regime. Imposing the universal-jump condition for an accurately calculated $ρ_s$, together with thorough finite-size scaling analyses (in the spirit of the phenomenological renormalization group) of $P_s$, suggests that $T_c$ is considerably higher than hitherto assumed.

cond-mat.str-el↗

arXiv2003

A layering model for superconductivity in the borocarbides

We propose a superlattice model to describe superconductivity in layered materials, such as the borocarbide families with the chemical formulæ $RT_2$B$_2$C and $RT$BC, with $R$ being (essentially) a rare earth, and $T$ a transition metal. We assume a single band in which electrons feel a local attractive interaction (negative Hubbard-$U$) on sites representing the $T$B layers, while U=0 on sites representing the $R$C layers; the multi-band structure is taken into account minimally through a band offset $ε$. The one-dimensional model is studied numerically through the calculation of the charge gap, the Drude weight, and of the pairing correlation function. A comparison with the available information on the nature of the electronic ground state (metallic or superconducting) indicates that the model provides a systematic parametrization of the whole borocarbide family.

cond-mat.supr-con↗

arXiv2003

Introduction to Quantum Monte Carlo simulations for fermionic systems

We tutorially review the determinantal Quantum Monte Carlo method for fermionic systems, using the Hubbard model as a case study. Starting with the basic ingredients of Monte Carlo simulations for classical systems, we introduce aspects such as importance sampling, sources of errors, and finite-size scaling analyses. We then set up the preliminary steps to prepare for the simulations, showing that they are actually carried out by sampling discrete Hubbard-Stratonovich auxiliary fields. In this process the Green's function emerges as a fundamental tool, since it is used in the updating process, and, at the same time, it is directly related to the quantities probing magnetic, charge, metallic, and superconducting behaviours. We also discuss the as yet unresolved "minus-sign problem", and two ways to stabilize the algorithm at low temperatures.

cond-mat.str-el↗

arXiv2003

Magnetic-field effects in defect-controlled ferromagnetic Ga_{1-x}Mn_xAs semiconductors

We have studied the magnetic-field and concentration dependences of the magnetizations of the hole and Mn subsystems in diluted ferromagnetic semiconductor Ga_{1-x}Mn_xAs. A mean-field approximation to the hole-mediated interaction is used, in which the hole concentration p(x) is parametrized in terms of a fitting (of the hole effective mass and hole/local moment coupling) to experimental data on the Tc critical temperature. The dependence of the magnetizations with x, for a given temperature, presents a sharply peaked structure, with maxima increasing with applied magnetic field, which indicates that application to diluted-magnetic-semiconductor devices would require quality-control of the Mn-doping composition. We also compare various experimental data for Tc(x) and p(x) on different Ga_{1-x}Mn_xAs samples and stress the need of further detailed experimental work to assure that the experimental measurements are reproducible.

cond-mat.mtrl-sci↗

arXiv2002

Luttinger liquid superlattices: realization of gapless insulating phases

We investigate Luttinger Liquid superlattices, a periodic structure composed of two kinds of one-dimensional systems of interacting electrons. We calculate several properties of the low-energy sector: the effective charge and spin velocities, the compressibility, various correlation functions, the Landauer conductance and the Drude weight. The low-energy properties are subsumed into effective parameters, much like homogeneous one-dimensional systems. A generic result is the weighted average nature of these parameters, in proportion to the spatial extent of the underlying subunits, pointing to the possibility of ``engineered'' structures. As a specific realization, we consider a one-dimensional Hubbard superlattice, which consists of a periodic arrangement of two long Hubbard chains with different coupling constants and different hopping amplitudes. This system exhibits a rich phase diagram with several phases, both metallic and insulating. We have found that gapless insulating phases are present over a wide range of parameters.

cond-mat.str-el↗

arXiv2002

Hole concentration in a diluted ferromagnetic semiconductor

We consider a mean-field approach to the hole-mediated ferromagnetism in III-V Mn-based semiconductor compounds to discuss the dependence of the hole density on that of Mn sites in Ga_{1-x}Mn_xAs. The hole concentration, p, as a function of the fraction of Mn sites, x, is parametrized in terms of the product m*J_{pd}^2 (where m* is the hole effective mass and J_{pd} is the Kondo-like hole/local-moment coupling), and the critical temperature Tc. By using experimental data for these quantities, we have established the dependence of the hole concentration with x, which can be associated with the occurrence of a reentrant metal-insulator transition taking place in the hole gas. We also calculate the dependence of the Mn magnetization with x, for different temperatures (T), and found that as T increases, the width of the composition-dependent magnetization decreases drammatically, and that the magnetization maxima also decreases, indicating the need for quality-control of Mn-doping composition in diluted magnetic semiconductor devices.

cond-mat.mtrl-sci↗

arXiv2001

Charge-density waves in one-dimensional Hubbard superlattices

We study the formation of charge density waves (CDW's) in one-dimensional Hubbard superlattices, modeled by a repeated pattern of repulsive (U>0) and free (U=0) sites. By means of Lanczos diagonalizations for the ground state, we calculate the charge structure factor. Our results show that while the superlattice structure affects the modulation of the charge density waves, the periodicity can still be predicted through an effective density. We also show that, for a fixed repulsive layer thickness, the periodicity of the CDW is an oscillatory function of the free layer thickness.

cond-mat.str-el↗

arXiv2001

Luttinger liquid superlattices

We calculate the correlation functions and the DC conductivity of Luttinger liquid superlattices, modeled by a repeated pattern of interacting and free Luttinger liquids. In a specific realization, where the interacting subsystem is a Hubbard chain, the system exhibits a rich phase diagram with four different phases: two metals and two compressible insulators. In general, we find that the effective low energy description amalgamates features of both types of liquids in proportion to their spatial extent, suggesting the interesting possibility of `engineered' Luttinger liquids.

cond-mat.str-el↗

arXiv1999

Universality, frustration and conformal invariance in two-dimensional random Ising magnets

We consider long, finite-width strips of Ising spins with randomly distributed couplings. Frustration is introduced by allowing both ferro- and antiferromagnetic interactions. Free energy and spin-spin correlation functions are calculated by transfer-matrix methods. Numerical derivatives and finite-size scaling concepts allow estimates of the usual critical exponents $γ/ν$, $α/ν$ and $ν$ to be obtained, whenever a second-order transition is present. Low-temperature ordering persists for suitably small concentrations of frustrated bonds, with a transition governed by pure--Ising exponents. Contrary to the unfrustrated case, subdominant terms do not fit a simple, logarithmic-enhancement form. Our analysis also suggests a vertical critical line at and below the Nishimori point. Approaching this point along either the temperature axis or the Nishimori line, one finds non-diverging specific heats. A percolation-like ratio $γ/ν$ is found upon analysis of the uniform susceptibility at the Nishimori point. Our data are also consistent with frustration inducing a breakdown of the relationship between correlation-length amplitude and critical exponents, predicted by conformal invariance for pure systems.

cond-mat.stat-mech↗

arXiv1998

Field-induced Ordering in Critical Antiferromagnets

Transfer-matrix scaling methods have been used to study critical properties of field-induced phase transitions of two distinct two-dimensional antiferromagnets with discrete-symmetry order parameters: triangular-lattice Ising systems (TIAF) and the square-lattice three-state Potts model (SPAF-3). Our main findings are summarised as follows. For TIAF, we have shown that the critical line leaves the zero-temperature, zero -field fixed point at a finite angle. Our best estimate of the slope at the origin is $(dT_c/dH)_{T=H=0} = 4.74 \pm 0.15$. For SPAF-3 we provided evidence that the zero-field correlation length diverges as $ξ(T \to 0, H=0) \simeq \exp (a/T^{x})$, with $x=1.08 \pm 0.13$, through analysis of the critical curve at $H \neq 0$ plus crossover arguments. For SPAF-3 we have also ascertained that the conformal anomaly and decay-of-correlations exponent behave as: (a) H=0: $c=1, η=1/3$; (b) $H \neq 0: c=1/2, η=1/4$.

cond-mat.stat-mech↗

arXiv1998

Metal-Insulator transition in one-dimensional Hubbard superlattices

We study the Metal-Insulator transition in one-dimensional Hubbard superlattices (SL's), modelled by a repeated pattern of repulsive (i.e., positive on-site coupling) and free sites. The evolution of the local moment and of the charge gap (calculated from Lanczos diagonalization of chains up to 18 sites), together with a strong coupling analysis, show that the electron density at which the system is insulating increases with the size of the free layer, relative to the repulsive one. In the insulating state, the mechanism of interaction between fermions separated by a free layer is the analog of superexchange, and the charge gap display universal features.

cond-mat.str-el↗

arXiv1997

Universality and logarithmic corrections in two-dimensional random Ising ferromagnets

We address the question of weak versus strong universality scenarios for the random-bond Ising model in two dimensions. A finite-size scaling theory is proposed, which explicitly incorporates $\ln L$ corrections ($L$ is the linear finite size of the system) to the temperature derivative of the correlation length. The predictions are tested by considering long, finite-width strips of Ising spins with randomly distributed ferromagnetic couplings, along which free energy, spin-spin correlation functions and specific heats are calculated by transfer-matrix methods. The ratio $γ/ν$ is calculated and has the same value as in the pure case; consequently conformal invariance predictions remain valid for this type of disorder. Semilogarithmic plots of correlation functions against distance yield average correlation lengths $ξ^{av}$, whose size dependence agrees very well with the proposed theory. We also examine the size dependence of the specific heat, which clearly suggestsa divergency in the thermodynamic limit. Thus our data consistently favour the Dotsenko-Shalaev picture of logarithmic corrections (enhancements) to pure system singularities, as opposed to the weak universality scenario.

cond-mat.stat-mech↗

arXiv1996

On weak vs. strong universality in the two-dimensional random-bond Ising ferromagnet

We address the issue of universality in two-dimensional disordered Ising systems, by considering long, finite-width strips of ferromagnetic Ising spins with randomly distributed couplings. We calculate the free energy and spin-spin correlation functions (from which averaged correlation lengths, $ξ^{ave}$, are computed) by transfer-matrix methods. An {\it ansatz} for the size-dependence of logarithmic corrections to $ξ^{ave}$ is proposed. Data for both random-bond and site-diluted systems show that pure system behaviour (with $ν=1$) is recovered if these corrections are incorporated, discarding the weak--universality scenario.

cond-mat↗