arXiv subjects

F. M. Peeters

Publications and source records attributed to F. M. Peeters.

At least 235 records · Page 13Linked to original sources

arXiv2012

Strain engineered graphene using a nanostructured substrate: II Pseudo-magnetic fields

The strain induced pseudo-magnetic field in supported graphene deposited on top of a nanostructured substrate is investigated by using atomistic simulations. Step, elongated trench, one dimensional barrier, spherical bubbles, Gaussian bump and Gaussian depression are considered as support structures for graphene. From the obtained optimum configurations we found very strong induced pseudo-magnetic fields which can reach up to $\sim$ 1000\,T due to the strain-induced deformations in the supported graphene. Different magnetic confinements with controllable geometries are found by tuning the pattern of the substrate. The resulting induced magnetic fields for graphene on top of a step, barrier and trench are calculated. In contrast to the step and trench the middle part of graphene on top of a barrier has zero pseudo-magnetic field. This study provides a theoretical background for designing magnetic structures in graphene by nanostructuring substrates. We found that altering the radial symmetry of the deformation, changes the six-fold symmetry of the induced pseudo-magnetic field.

cond-mat.mes-hall↗

arXiv2012

Nano-engineered non-uniform strain in graphene

Recent experiments showed that non-uniform strain can be produced by depositing graphene over pillars. We employed atomistic calculations to study the non-uniform strain and the induced pseudo-magnetic field up to 5000 Tesla in graphene on top of nano-pillars. By decreasing the distance between the nano-pillars a complex distribution for the pseudo-magnetic field can be generated. Furthermore, we performed tight-binding calculations of the local density of states (LDOS) by using the relaxed graphene configuration obtained from the atomistic calculations. We find that the quasiparticle LDOS are strongly modified near the pillars, both at low energies showing sub-lattice polarization, and at high energies showing shifts of the van Hove singularity. Our study shows that changing the specific pattern of the nano-pillars allows us to create a desired shape of the pseudo-magnetic field profile while the LDOS maps provide an input for experimental verifications by scanning tunneling microscopy.

cond-mat.mes-hall↗

arXiv2012

Plasmon and dielectric background inhomogeneity enhancement of Coulomb drag in graphene double-layer structures

The drag of massless fermions in graphene double-layer structures is investigated in a wide rage of temperatures and inter-layer separations. We show that the inhomogeneity of the dielectric background in such graphene structures for experimentally relevant parameters results in a significant enhancement of the drag resistivity. At intermediate temperatures the dynamical screening via plasmon-mediated drag enhances the drag resistivity and results in an upturn in its behavior at large inter-layer separations. In a range of inter-layer separations, corresponding to the strong-to-weak crossover coupling of graphene layers, we find that the drag resistivity decreases approximately quadratically with the inter-layer spacing. This dependence weakens with a decrease of the inter-layer spacing while for larger separations we recover the cubic (quartic) dependence at intermediate (low) temperatures.

cond-mat.mes-hall↗

arXiv2012

Induced polarization and electronic properties of carbon doped boron-nitride nanoribbons

The electronic properties of boron-nitride nanoribbons (BNNRs) doped with a line of carbon atoms are investigated by using density functional calculations. Three different configurations are possible: the carbon atoms may replace a line of boron or nitrogen atoms or a line of alternating B and N atoms which results in very different electronic properties. We found that: i) the NCB arrangement is strongly polarized with a large dipole moment having an unexpected direction, ii) the BCB and NCN arrangement are non-polar with zero dipole moment, iii) the doping by a carbon line reduces the band gap independent of the local arrangement of boron and nitrogen around the carbon line, iv) an electric field parallel to the carbon line polarizes the BN sheet and is found to be sensitive to the presence of carbon dopants, and v) the energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases linearly with increasing applied electric field directed parallel to the carbon line. We show that the polarization and energy gap of carbon doped BNNRs can be tuned by an electric field applied parallel along the carbon line.

cond-mat.mes-hall↗

arXiv2012

Controllable spin singlet - spin triplet transition in three concentric quantum rings through magnetic field and confinement potential

We present a theoretical study of the spectrum of electrons confined in triple concentric rings. An unusual ordering and rich variety of angular momentum transitions are found that depend on the coupling between the rings and the confinement potential of the rings. Using the Configuration Interaction (CI) method, we calculated the two electron energy spectrum. Spin singlet to spin triplet transitions of the electron ground state are predicted and a fractional Aharonov-Bohm effect is found. We show that both the period and amplitude of the spin singlet - triplet energy gap depend strongly on the confinement potential and the external magnetic field. The spin singlet - triplet transition is found to depend on the spin Zeeman energy, especially for rings with weak confinement and in the presence of large magnetic field. The amplitude of the spin singlet - triplet energy gap depends on the Landé $g$-factor but the period of the transitions is independent of $g$.

cond-mat.mes-hall↗

arXiv2012

Tunable optical Aharonov-Bohm effect in a semiconductor quantum ring

By applying an electric field perpendicular to a semiconductor quantum ring we show that it is possible to modify the single particle wave function between quantum dot (QD)-like to ring-like. The constraints on the geometrical parameters of the quantum ring to realize such a transition are derived. With such a perpendicular electric field we are able to tune the Aharanov-Bohm (AB) effect for both single particles and for excitons. The tunability is in both the strength of the AB-effect as well as in its periodicity. We also investigate the strain induce potential inside the self assembled quantum ring and the effect of the strain on the AB effect.

cond-mat.mes-hall↗

arXiv2012

Predicted field-dependent increase of critical currents in asymmetric superconducting nanocircuits

The critical current of a thin superconducting strip of width $W$ much larger than the Ginzburg-Landau coherence length $ξ$ but much smaller than the Pearl length $Λ= 2 λ^2/d$ is maximized when the strip is straight with defect-free edges. When a perpendicular magnetic field is applied to a long straight strip, the critical current initially decreases linearly with $H$ but then decreases more slowly with $H$ when vortices or antivortices are forced into the strip. However, in a superconducting strip containing sharp 90-degree or 180-degree turns, the zero-field critical current at H=0 is reduced because vortices or antivortices are preferentially nucleated at the inner corners of the turns, where current crowding occurs. Using both analytic London-model calculations and time-dependent Ginzburg-Landau simulations, we predict that in such asymmetric strips the resulting critical current can be {\it increased} by applying a perpendicular magnetic field that induces a current-density contribution opposing the applied current density at the inner corners. This effect should apply to all turns that bend in the same direction.

cond-mat.supr-con↗

arXiv2012

Two-band superconductors: Hidden criticality deep in the superconducting state

We show that two-band superconductors harbor hidden criticality deep in the superconducting state, stemming from the critical temperature of the weaker band taken as an independent system. For sufficiently small interband coupling $γ$ the coherence length of the weaker band exhibits a remarkable deviation from the conventional monotonic increase with temperature, namely, a pronounced peak close to the hidden critical point. The magnitude of the peak scales proportionally to γ^(-μ), with the Landau critical exponent μ= 1/3, the same as found for the mean-field critical behavior with respect to the source field in ferromagnets and ferroelectrics. Here reported hidden criticality of multi-band superconductors can be experimentally observed by, e.g., imaging of the variations of the vortex core in a broader temperature range. Similar effects are expected for the superconducting multilayers.

cond-mat.supr-con↗

arXiv2012

Transition from single-file to two-dimensional diffusion of interacting particles in a quasi-one-dimensional channel

Diffusive properties of a monodisperse system of interacting particles confined to a \textit{quasi}-one-dimensional (Q1D) channel are studied using molecular dynamics (MD) simulations. We calculate numerically the mean-squared displacement (MSD) and investigate the influence of the width of the channel (or the strength of the confinement potential) on diffusion in finite-size channels of different shapes (i.e., straight and circular). The transition from single-file diffusion (SFD) to the two-dimensional diffusion regime is investigated. This transition (regarding the calculation of the scaling exponent ($α$) of the MSD $<Δx^{2}(t)>$ $\propto t^α$) as a function of the width of the channel, is shown to change depending on the channel's confinement profile. In particular the transition can be either smooth (i.e., for a parabolic confinement potential) or rather sharp/stepwise (i.e., for a hard-wall potential), as distinct from infinite channels where this transition is abrupt. This result can be explained by qualitatively different distributions of the particle density for the different confinement potentials.

cond-mat.soft↗

arXiv2012

Using self-driven microswimmers for particle separation

Microscopic self-propelled swimmers capable of autonomous navigation through complex environments provide appealing opportunities for localization, pick-up and delivery of micro-and nanoscopic objects. Inspired by motile cells and bacteria, man-made microswimmers have been fabricated, and their motion in patterned surroundings has been experimentally studied. We propose to use self-driven artificial microswimmers for separation of binary mixtures of colloids. We revealed different regimes of separation including one with a velocity inversion. Our finding could be of use for various biological and medical applications.

cond-mat.soft↗

arXiv2012

Extended Ginzburg-Landau formalism: systematic expansion in small deviation from the critical temperature

Based on the Gor'kov formalism for a clean s-wave superconductor, we develop an extended version of the single-band Ginzburg-Landau (GL) theory by means of a systematic expansion in the deviation from the critical temperature T_c, i.e., tau=1-T/T_c. We calculate different contributions to the order parameter and the magnetic field: the leading contributions (~ tau^1/2 in the order parameter and ~ tau in the magnetic field) are controlled by the standard Ginzburg-Landau (GL) theory, while the next-to-leading terms (~ tau^3/2 in the gap and ~ tau^2 in the magnetic field) constitute the extended GL (EGL) approach. We derive the free-energy functional for the extended formalism and the corresponding expression for the current density. To illustrate the usefulness of our formalism, we calculate, in a semi-analytical form, the temperature-dependent correction to the GL parameter at which the surface energy becomes zero, and analytically, the temperature dependence of the thermodynamic critical field. We demonstrate that the EGL formalism is not just a mathematical extension to the theory - variations of both the gap and the thermodynamic critical field with temperature calculated within the EGL theory are found in very good agreement with the full BCS results down to low temperatures, which dramatically improves the applicability of the formalism compared to its standard predecessor.

cond-mat.supr-con↗

arXiv2012

Effect of grain boundary on the buckling of graphene nanoribbons

The buckling of graphene nano-ribbons containing a grain boundary is studied using atomistic simulations where free and supported boundary conditions are invoked. We found that when graphene contains a small angle grain boundary the buckling strains are larger when the ribbons with free (supported) boundary condition are subjected to compressive tension parallel (perpendicular) to the grain boundary. The shape of the deformations of the buckled graphene nanoribbons depends on the boundary conditions and the presence of the grain boundary and the direction of applied in-plane compressive tension. Large angle grain boundary results in smaller buckling strains as compared to perfect graphene or to a small angle grain boundary.

cond-mat.mtrl-sci↗

arXiv2012

Thermomechanical properties of graphene: valence force field model approach

Using the valence force field model of Perebeinos and Tersoff [Phys. Rev. B {\bf79}, 241409(R) (2009)], different energy modes of suspended graphene subjected to tensile or compressive strain are studied. By carrying out Monte Carlo simulations it is found that: i) only for small strains ($|\varepsilon| \lessapprox 0.02$) the total energy is symmetrical in the strain, while it behaves completely different beyond this threshold; ii) the important energy contributions in stretching experiments are stretching, angle bending, out-of-plane term and a term that provides repulsion against $π-π$ misalignment; iii) in compressing experiments the two latter terms increase rapidly and beyond the buckling transition stretching and bending energies are found to be constant; iv) from stretching-compressing simulations we calculated the Young modulus at room temperature 350$\pm3.15$\,N/m, which is in good agreement with experimental results (340$\pm50$\,N/m) and with ab-initio results [322-353]\,N/m; v) molar heat capacity is estimated to be 24.64\,J/mol$^{-1}$K$^{-1}$ which is comparable with the Dulong-Petit value, i.e. 24.94\,J/mol$^{-1}$K$^{-1}$ and is almost independent of the strain; vi) non-linear scaling properties are obtained from height-height correlations at finite temperature; vii) the used valence force field model results in a temperature independent bending modulus for graphene, and viii) the Gruneisen parameter is estimated to be 0.64.

cond-mat.mtrl-sci↗

arXiv2012

Spin Orbit Mediated Manipulation of Heavy Hole Spin Qubit in Gated Semiconductor Nanodevices

A novel spintronic nanodevice is proposed that is capable to manipulate the single heavy hole spin state in a coherent manner. It can act as a single quantum logic gate. The heavy hole spin transformations are realized by transporting the hole around closed loops defined by metal gates deposited on top of the nanodevice. The device exploits Dresselhaus spin orbit interaction which translates the spatial motion of the hole into a rotation of the spin. The proposed quantum gate operates on sub nanosecond time scales and requires only the application of a weak static voltage which allows for addressing heavy hole spin qubit individually. Our results are supported by quantum mechanical time dependent calculations within the four band Luttinger Kohn model.

cond-mat.mes-hall↗

arXiv2012

Electron-phonon bound state in graphene

The fine structure of the Dirac energy spectrum in graphene induced by electron-optical phonon coupling is investigated in the portion of the spectrum near the phonon emission threshold. The derived new dispersion equation in the immediate neighborhood below the phonon threshold corresponds to an electron-phonon bound state. We find that the singular vertex corrections beyond perturbation theory increase strongly the electron-phonon binding energy. The predicted enhancement of the effective electron-phonon coupling can be measured using angle-resolved spectroscopy.

cond-mat.mes-hall↗

arXiv2011

The electric field as a novel switch for uptake/release of hydrogen storage in nitrogen doped graphene

Nitrogen-doped graphene was recently synthesized and was reported to be a catalyst for hydrogen dissociative adsorption under a perpendicular applied electric field (F). In this work, the diffusion of H atoms on N-doped graphene, in the presence and absence of an applied perpendicular electric field, is studied using density functional theory. We demonstrate that the applied field can significantly facilitate the binding of hydrogen molecules on N-doped graphene through dissociative adsorption and diffusion on the surface. By removing the applied field the absorbed H atoms can be released efficiently. Our theoretical calculation indicates that N-doped graphene is a promising hydrogen storage material with reversible hydrogen adsorption/desorption where the applied electric field can act as a switch for the uptake/release processes.

cond-mat.mtrl-sci↗

arXiv2011

Energy levels of triangular and hexagonal graphene quantum dots: a comparative study between the tight-binding and the Dirac approach

The Dirac equation is solved for triangular and hexagonal graphene quantum dots for different boundary conditions in the presence of a perpendicular magnetic field. We analyze the influence of the dot size and its geometry on their energy spectrum. A comparison between the results obtained for graphene dots with zigzag and armchair edges, as well as for infinite-mass boundary condition, is presented and our results show that the type of graphene dot edge and the choice of the appropriate boundary conditions have a very important influence on the energy spectrum. The single particle energy levels are calculated as function of an external perpendicular magnetic field which lifts degeneracies. Comparing the energy spectra obtained from the tight-binding approximation to those obtained from the continuum Dirac equation approach, we verify that the behavior of the energies as function of the dot size or the applied magnetic field are qualitatively similar, but in some cases quantitative differences can exist.

cond-mat.mes-hall↗

arXiv2011

Strain-induced band gaps in bilayer graphene

We present a tight-binding investigation of strained bilayer graphene within linear elasticity theory, focusing on the different environments experienced by the A and B carbon atoms of the different sublattices. We find that the inequivalence of the A and B atoms is enhanced by the application of perpendicular strain $ε_{zz}$, which provides a physical mechanism for opening a band gap, most effectively obtained when pulling the two graphene layers apart. In addition, perpendicular strain introduces electron-hole asymmetry and can result in linear electronic dispersion near the K-point. When applying lateral strain to one layer and keeping the other layer fixed, we find the opening of an indirect band gap for small deformations. Our findings suggest experimental means for strain-engineered band gaps in bilayer graphene.

cond-mat.mtrl-sci↗