arXiv subjects

F. M. Peeters

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

At least 199 records · Page 11Linked to original sources

arXiv2013

Realization of Artificial Ice Systems for Magnetic Vortices in a Superconducting MoGe Thin-film with Patterned Nanostructures

We report an anomalous matching effect in MoGe thin films containing pairs of circular holes arranged in such a way that four of those pairs meet at each vertex point of a square lattice. A remarkably pronounced fractional matching was observed in the magnetic field dependences of both the resistance and the critical current. At the half matching field the critical current can be even higher than that at zero field. This has never been observed before for vortices in superconductors with pinning arrays. Numerical simulations within the nonlinear Ginzburg-Landau theory reveal a square vortex ice configuration in the ground state at the half matching field and demonstrate similar characteristic features in the field dependence of the critical current, confirming the experimental realization of an artificial ice system for vortices for the first time.

cond-mat.supr-con↗

arXiv2013

Electronic states in a graphene flake strained by a Gaussian bump

The effect of strain in graphene is usually modeled by a pseudo-magnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance, which can be up to 25%. Here we investigate the pseudo-magnetic field generated by a Gaussian bump and we show that it exhibits significant differences with numerical tight-binding results. Furthermore, we calculate the electronic states in the strained region for a hexagon shaped flake with armchair edges. We find that the six-fold symmetry of the wave functions inside the Gaussian bump is directly related to the different effect of strain along the fundamental directions of graphene: zigzag and armchair. Low energy electrons are strongly confined in the armchair directions and are localized on the carbon atoms of a single sublattice.

cond-mat.mes-hall↗

arXiv2013

Helical liquid of snake states

We derive an exact solution to the problem of spin snake states induced in a nonhomogeneous magnetic field by a combined action of the Rashba spin-orbit and Zeeman fields. In an antisymmetric magnetic field the spin snake states are nonlocal composite particles, originating from spatially separated entangled spins. Adding an external homogeneous magnetic field breaks the spin-parity symmetry gapping out the spectral branches, which results in a regular beating pattern of the spin current. These new phenomena in a helical liquid of snake states are proposed for an experimental realization.

cond-mat.mes-hall↗

arXiv2013

Klein paradox for a pn junction in multilayer graphene

Charge carriers in single and multilayered graphene systems behave as chiral particles due to the particular lattice symmetry of the crystal. We show that the interplay between the meta-material properties of graphene multilayers and the pseudospinorial properties of the charge carriers result in the occurrence of Klein and anti-Klein tunneling for rhombohedral stacked multilayers. We derive an algebraic formula predicting the angles at which these phenomena occur and support this with numerical calculations for systems up to four layers. We present a decomposition of an arbitrarily stacked multilayer into pseudospin doublets that have the same properties as rhombohedral systems with a lower number of layers.

cond-mat.mes-hall↗

arXiv2013

Pseudo magnetic field in strained graphene: revisited

We revisit the theory of the pseudo magnetic field as induced by strain in graphene using the tight-binding approach. A systematic expansion of the hopping parameter and the deformation of the lattice vectors is presented from which we obtain an expression for the pseudo magnetic field for low energy electrons. We generalize and discuss previous results and propose a novel effective Hamiltonian. The contributions of the different terms to the pseudo magnetic field expression is investigated for a model triaxial strain profile and are compared with the full solution. Our work suggests that the previous proposed pseudo magnetic field expression is valid up to reasonably high strain 15 % and there is no K-dependent pseudo-magnetic field.

cond-mat.mes-hall↗

arXiv2013

Melting of graphene clusters

Density-functional tight-binding and classical molecular dynamics simulations are used to investigate the structural deformations and melting of planar carbon nano-clusters $C_{N}$ with N=2-55. The minimum energy configurations for different clusters are used as starting configuration for the study of the temperature effects on the bond breaking/rotation in carbon lines (N$<$6), carbon rings (5$<$N$<$19) and graphene nano-flakes. The larger the rings (graphene nano-flake) the higher the transition temperature (melting point) with ring-to-line (perfect-to-defective) transition structures. The melting point was obtained by using the bond energy, the Lindemann criteria, and the specific heat. We found that hydrogen-passivated graphene nano-flakes (C$_{N}$H$_M$) have a larger melting temperature with a much smaller dependence on its size. The edges in the graphene nano-flakes exhibit several different meta-stable configurations (isomers) during heating before melting occurs.

cond-mat.mtrl-sci↗

arXiv2013

Thermomechanical properties of a single hexagonal boron nitride sheet

Using atomistic simulations we investigate the thermodynamical properties of a single atomic layer of hexagonal boron nitride (h-BN). The thermal induced ripples, heat capacity, and thermal lattice expansion of large scale h-BN sheets are determined and compared to those found for graphene (GE) for temperatures up to 1000 K. By analyzing the mean square height fluctuations $< h^2>$ and the height-height correlation function $H(q)$ we found that the h-BN sheet is a less stiff material as compared to graphene. The bending rigidity of h-BN: i) is about 16% smaller than the one of GE at room temperature (300 K), and ii) increases with temperature as in GE. The difference in stiffness between h-BN and GE results in unequal responses to external uniaxial and shear stress and different buckling transitions. In contrast to a GE sheet, the buckling transition of a h-BN sheet depends strongly on the direction of the applied compression. The molar heat capacity, thermal expansion coefficient and the Gruneisen parameter are estimated to be 25.2 J\,mol$^{-1}$\,K$^{-1}$, 7.2$\times10^{-6}$K$^{-1}$ and 0.89, respectively.

cond-mat.mes-hall↗

arXiv2013

Ginzburg-Landau theory for multiband superconductors: microscopic derivation

A procedure to derive the Ginzburg-Landau (GL) theory from the multiband BCS Hamiltonian is developed in a general case with an arbitrary number of bands and arbitrary interaction matrix. It combines the standard Gor'kov truncation and a subsequent reconstruction in order to match accuracies of the obtained terms. This reconstruction recovers the phenomenological GL theory as obtained from the Landau model of phase transitions but offers explicit microscopic expressions for the relevant parameters. Detailed calculations are presented for a three-band system treated as a prototype multiband superconductor. It is demonstrated that the symmetry in the coupling matrix may lead to the chiral ground state with the phase frustration, typical for systems with broken time-reversal symmetry.

cond-mat.supr-con↗

arXiv2013

Phonon Softening and Direct to Indirect Bandgap Crossover in Strained Single Layer MoSe2

Motivated by recent experimental observations of Tongay et al. [Tongay et al., Nano Letters, 12(11), 5576 (2012)] we show how the electronic properties and Raman characteristics of single layer MoSe2 are affected by elastic biaxial strain. We found that with increasing strain: (1) the E' and E" Raman peaks (E1g and E2g in bulk) exhibit significant red shifts (up to 30 cm-1), (2) the position of the A1' peak remains at 180 cm-1 (A1g in bulk) and does not change considerably with further strain, (3) the dispersion of low energy flexural phonons crosses over from quadratic to linear and (4) the electronic band structure undergoes a direct to indirect bandgap crossover under 3% biaxial tensile strain. Thus the application of strain appears to be a promising approach for a rapid and reversible tuning of the electronic, vibrational and optical properties of single layer MoSe2 and similar MX2 dichalcogenides.

cond-mat.mtrl-sci↗

arXiv2013

Anomalous Raman Spectra and Thickness Dependent Electronic properties of WSe2

Typical Raman spectra of transition metal dichalcogenides (TMDs) display two prominent peaks, E2g and A1g, that are well separated from each other. We find that these modes are degenerate in bulk WSe2 yielding one single Raman peak. As the dimensionality is lowered, the observed peak splits in two as a result of broken degeneracy. In contrast to our experimental findings, our phonon dispersion calculations reveal that these modes remain degenerate independent of the number of layers. Interestingly, for minuscule biaxial strain the degeneracy is preserved but once the crystal symmetry is broken by uniaxial strain, the degeneracy is lifted. Our calculated phonon dispersion for uniaxially strained WSe2 shows a perfect match to the measured Raman spectrum which suggests that uniaxial strain exists in WSe2 flakes possibly induced during the sample preparation and/or as a result of interaction between WSe2 and the substrate. Furthermore, we find that WSe2 undergoes an indirect to direct bandgap transition from bulk to monolayers which is ubiquitous for semiconducting TMDs. These results not only allow us to understand the vibrational properties of WSe2 but also provides detailed insight to their physical properties.

cond-mat.mtrl-sci↗

arXiv2013

Resonant valley filtering of massive Dirac electrons

Electrons in graphene, in addition to their spin, have two pseudospin degrees of freedom: sublattice and valley pseudospin. Valleytronics uses the valley degree of freedom as a carrier of information similar to the way spintronics uses electron spin. We show how a double barrier structure consisting of electric and vector potentials can be used to filter massive Dirac electrons based on their valley index. We study the resonant transmission through a finite number of barriers and we obtain the energy spectrum of a superlattice consisting of electric and vector potentials. When a mass term is included the energy bands and energy gaps at the K and K' points are different and they can be tuned by changing the potential.

cond-mat.mes-hall↗

arXiv2013

Tight-binding description of intrinsic superconducting correlations in multilayer graphene

Using highly efficient GPU-based simulations of the tight-binding Bogoliubov-de Gennes equations we solve self-consistently for the pair correlation in rhombohedral (ABC) and Bernal (ABA) multilayer graphene by considering a finite intrinsic s-wave pairing potential. We find that the two different stacking configurations have opposite bulk/surface behavior for the order parameter. Surface superconductivity is robust for ABC stacked multilayer graphene even at very low pairing potentials for which the bulk order parameter vanishes, in agreement with a recent analytical approach. In contrast, for Bernal stacked multilayer graphene, we find that the order parameter is always suppressed at the surface and that there exists a critical value for the pairing potential below which no superconducting order is achieved. We considered different doping scenarios and find that homogeneous doping strongly suppresses surface superconductivity while non-homogeneous field-induced doping has a much weaker effect on the superconducting order parameter. For multilayer structures with hybrid stacking (ABC and ABA) we find that when the thickness of each region is small (few layers), high-temperature surface superconductivity survives throughout the bulk due to the proximity effect between ABC/ABA interfaces where the order parameter is enhanced.

cond-mat.supr-con↗

arXiv2013

Four band tunneling in bilayer graphene

The conductance, the transmission and the reflection probabilities through rectangular potential barriers and pn-junctions are obtained for bilayer graphene taking into account the four bands of the energy spectrum. We have evaluated the importance of the skew hopping parameters γ3 and γ4 to these properties and show that for energies E>γ1/100 their effect is negligible. For high energies two modes of propagation exist and we investigate scattering between these modes. For perpendicular incidence both propagation modes are decoupled and scattering between them is forbidden. This extends the concept of pseudospin as defined within the two band approximation to a four band model and corresponds to the (anti)symmetry of the wavefunctions under in-plane mirroring. New transmission resonances are found that appear as sharp peaks in the conductance which are absent in the two band approximation. The application of an interlayer bias to the system: 1) breaks the pseudospin structure, 2) opens a bandgap that results in a distinct feature of suppressed transmission in the conductance, and 3) breaks the angular symmetry with respect to normal incidence in the transmission and reflection.

cond-mat.mes-hall↗

arXiv2013

Spiral graphone and one sided fluorographene nano-ribbons

The instability of a free-standing one sided hydrogenated/fluorinated graphene nano-ribbon, i.e. graphone/fluorographene, is studied using ab-initio, semiempirical and large scale molecular dynamics simulations. Free standing semi-infinite arm-chair like hydrogenated/fluorinated graphene (AC-GO/AC-GF) and boat like hydrogenated/fluorinated graphene (B-GO/B-GF) (nano-ribbons which are periodic along the zig-zag direction) are unstable and spontaneously transform into spiral structures. We find that rolled, spiral B-GO and B-GF are energetically more favorable than spiral AC-GO and AC-GF which is opposite to the double sided flat hydrogenated/fluorinated graphene, i.e. graphane/fluorographene. We found that the packed, spiral structures exhibit unexpected localized HOMO-LUMO at the edges with increasing energy gap during rolling. These rolled hydrocarbon structures are stable beyond room temperature up to at least $T$=1000\,K.

cond-mat.mes-hall↗

arXiv2013

Thermal properties of fluorinated graphene

Large scale atomistic simulations using the reactive force field approach (ReaxFF) are implemented to investigate the thermomechanical properties of fluorinated graphene (FG). A new set of parameters for the reactive force field potential (ReaxFF) optimized to reproduce key quantum mechanical properties of relevant carbon-fluor cluster systems are presented. Molecular dynamics (MD) simulations are used to investigate the thermal rippling behavior of FG and its mechanical properties and compare them with graphene (GE), graphane (GA) and a sheet of BN. The mean square value of the height fluctuations $< h^2>$ and the height-height correlation function $H(q)$ for different system sizes and temperatures show that FG is an un-rippled system in contrast to the thermal rippling behavior of graphene (GE). The effective Young's modulus of a flake of fluorinated graphene is obtained to be 273 N/m and 250 N/m for a flake of FG under uniaxial strain along arm-chair and zig-zag direction, respectively.

cond-mat.mes-hall↗

arXiv2013

Multiband tunneling in trilayer graphene

The electronic tunneling properties of the two stable forms of trilayer graphene (TLG), rhombohedral ABC and Bernal ABA, are examined for pn and pnp junctions as realized by using a single gate (SG) or a double gate (DG). For the rhombohedral form, due to the chirality of the electrons, the Klein paradox is found at normal incidence for SG devices while at high energy interband scattering between additional propagation modes can occur. The electrons in Bernal ABA TLG can have a monolayer- or bilayer-like character when incident on a SG device. Using a DG however both propagation modes will couple by breaking the mirror symmetry of the system which induces intermode scattering and resonances that depend on the width of the DG pnp junction. For ABC TLG the DG opens up a band gap which suppresses Klein tunneling. The DG induces also an unexpected asymmetry in the tunneling angle for single valley electrons.

cond-mat.mes-hall↗

arXiv2013

Vibrational properties of nanographene

The eigenmodes and the vibrational density of states of the ground state configuration of graphene clusters are calculated using atomistic simulations. The modified Brenner potential is used to describe the carbon-carbon interaction and carbon-hydrogen interaction in case of H-passivated edges. For a given configuration of the C-atoms the eigenvectors and eigenfrequencies of the normal modes are obtained after diagonalisation of the dynamical matrix whose elements are the second derivative of the potential energy. The compressional and shear properties are obtained from the divergence and rotation of the velocity field. For symmetric and defective clusters with pentagon arrangement on the edge, the highest frequency modes are shear modes. The specific heat of the clusters is also calculated within the harmonic approximation and the convergence to the result for bulk graphene is investigated.

cond-mat.mtrl-sci↗

arXiv2013

Field effect on surface states in a doped Mott-Insulator thin film

Surface effects of a doped thin film made of a strongly correlated material are investigated both in the absence and presence of a perpendicular electric field. We use an inhomogeneous Gutzwiller approximation for a single band Hubbard model in order to describe correlation effects. For low doping, the bulk value of the quasiparticle weight is recovered exponentially deep into the slab, but with increasing doping, additional Friedel oscillations appear near the surface. We show that the inverse correlation length has a power-law dependence on the doping level. In the presence of an electrical field, considerable changes in the quasiparticle weight can be realized throughout the system. We observe a large difference (as large as five orders of magnitude) in the quasiparticle weight near the opposite sides of the slab. This effect can be significant in switching devices that use the surface states for transport.

cond-mat.str-el↗