arXiv subjects

A. Fasolino

Publications and source records attributed to A. Fasolino.

At least 19 recordsLinked to original sources

arXiv2017

Nonlinear effects in the propagation of optically generated magnetostatic volume mode spin waves

Recent experimental work has demonstrated optical control of spin wave emission by tuning the shape of the optical pulse (Satoh et al.\ Nature Photonics, 6, 662 (2012)). We reproduce these results and extend the scope of the control by investigating nonlinear effects for large amplitude excitations. We observe an accumulation of spin wave power at the center of the initial excitation combined with short-wavelength spin waves. These kind of nonlinear effects have not been observed in earlier work on nonlinearities of spin waves. Our observations pave the way for the manipulation of magnetic structures at a smaller scale than the beam focus, for instance in devices with all-optical control of magnetism.

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arXiv2017

Theoretical models of Rashba spin splitting in asymmetric SrTiO3-based heterostructures

Rashba spin splitting in two-dimensional (2D) semiconductor systems is generally calculated in a ${\bf k} \cdot {\bf p}$ Luttinger-Kohn approach where the spin splitting due to asymmetry emerges naturally from the bulk band structure. In recent years, several new classes of 2D systems have been discovered where electronic correlations are believed to have an important role. In these correlated systems, the effects of asymmetry leading to Rashba splitting have typically been treated phenomenologically. We compare these two approaches for the case of 2D electron systems in SrTiO$_3$-based heterostructures, and find that the two models produce fundamentally different behavior in regions of the Brillouin zone that are particularly relevant for magnetotransport. Our results demonstrate the importance of identifying the correct approach in the quantitative interpretation of experimental data, and are likely to be relevant to a range of 2D systems in correlated materials.

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arXiv2017

Mechanics of thermally fluctuating membranes

Besides having unique electronic properties, graphene is claimed to be the strongest material in nature. In the press release of the Nobel committee it is claimed that a hammock made of a squared meter of one-atom thick graphene could sustain the wight of a 4 kg cat. More practically important are applications of graphene like scaffolds and sensors which are crucially dependent on the mechanical strength. Meter-sized graphene is even being considered for the lightsails in the starshot project to reach the star alpha centaury. The predicted strength of graphene is based on its very large Young modulus which is, per atomic layer, much larger than that of steel. This reasoning however would apply to conventional thin plates but does not take into account the peculiar properties of graphene as a thermally fluctuating crystalline membrane. It was shown recently both experimentally and theoretically that thermal fluctuations lead to a dramatic reduction of the Young modulus and increase of the bending rigidity for micron-sized graphene samples in comparison with atomic scale values. This makes the use of the standard Föppl-von Karman elasticity (FvK) theory for thin plates not directly applicable to graphene and other single atomic layer membranes. This fact is important because the current interpretation of experimental results is based on the FvK theory. In particular, we show that the FvK-derived Schwerin equation, routinely used to derive the Young modulus from indentation experiments has to be essentially modified for graphene at room temperature and for micron sized samples. Based on scaling analysis and atomistic simulation we investigate the mechanics of graphene under transverse load up to breaking. We determine the limits of applicability of the FvK theory and provide quantitative estimates for the different regimes.

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arXiv2017

Density Functional Based Simulations of Proton Permeation of Graphene and Hexagonal Boron Nitride

Using density functional theory, we study proton permeation through graphene and hexagonal boron nitride. We consider several factors influencing the barriers for permeation, including structural optimization, the role of the solvent, surface curvature and proton transport through hydrogenated samples. Furthermore, we discuss the ground state charge transfer from the membrane to the proton and the strong tendency for bond formation. If the process is assumed to be slow we find that none of these effects lead to a satisfactory answer to the observed discrepancies between theory and experiment.

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arXiv2016

Macroscopic self-reorientation of interacting two-dimensional crystals

Microelectromechanical systems, which can be moved or rotated with nanometre precision, already find applications in such fields like radio-frequency electronics, micro-attenuators, sensors and many others. Especially interesting are those which allow fine control over the motion on atomic scale due to self-alignment mechanisms and forces acting on the atomic level. Such machines can produce well-controlled movements as a reaction to small changes of the external parameters. Here we demonstrate that, for the system of graphene on hexagonal boron nitride, the interplay between the van der Waals and elastic energies results in graphene mechanically self-rotating towards the hexagonal boron nitride crystallographic directions. Such rotation is macroscopic (for graphene flakes of tens of micrometres the tangential movement can be on hundreds of nanometres) and can be used for reproducible manufacturing of aligned van der Waals heterostructures.

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arXiv2016

Chirality-dependent transmission of spin waves through domain walls

Spin-wave technology (magnonics) has the potential to further reduce the size and energy consumption of information processing devices. In the submicrometer regime (exchange spin waves), topological defects such as domain walls may constitute active elements to manipulate spin waves and perform logic operations. We predict that spin waves that pass through a domain wall in an ultrathin perpendicular-anisotropy film experience a phase shift that depends on the orientation of the domain wall (chirality). The effect, which is absent in bulk materials, originates from the interfacial Dzyaloshinskii-Moriya interaction and can be interpreted as a geometric phase. We demonstrate analytically and by means of micromagnetic simulations that the phase shift is strong enough to switch between constructive and destructive interference. The two chirality states of the domain wall may serve as a memory bit or spin-wave switch in magnonic devices.

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arXiv2016

Two-dimensional dispersion of magnetostatic volume spin waves

The dipolar (magnetostatic) interaction dominates the behavior of spin waves in magnetic films in the long-wavelength regime. In an in-plane magnetized film, volume modes exist with a negative group velocity (backward volume magnetostatic spin waves), in addition to the forward surface-localized mode (Damon-Eshbach). Inside the film of finite thickness $L$, the volume modes have a nontrivial spatial dependence, and their two-dimensional dispersion relations $ω(\mathbf{k})$ can be calculated only numerically. We present explicit perturbative expressions for the profiles and frequencies of the volume modes, taking into account an in-plane applied field and uniaxial anisotropy, for the regimes $\lVert \mathbf{k}L \rVert \gg 1$ and $\lVert \mathbf{k}L \rVert \ll 1$, which together provide a good indication of the behavior of the modes for arbitrary wavevector $\mathbf{k}$. Moreover, we derive a very accurate semianalytical expression for the dispersion relation $ω(\mathbf{k})$ of the lowest-frequency mode that is straightforward to evaluate using standard numerical routines. Our results are useful to quickly interpret and control the excitation and propagation of spin waves in (opto-)magnetic experiments.

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arXiv2015

Scaling behavior and strain dependence of in-plane elastic properties of graphene

We show by atomistic simulations that, in the thermodynamic limit, the in-plane elastic moduli of graphene at finite temperature vanish with system size $ L $ as a power law $ ~ L^{-η_u} $ with $ η_u \simeq 0.325 $, in agreement with the membrane theory. Our simulations clearly reveal the size and strain dependence of graphene's elastic moduli, allowing comparison to experimental data. Although the recently measured difference of a factor 2 between the asymptotic value of the Young modulus for tensilely strained systems and the value from {\it ab initio} calculations remains unsolved, our results do explain the experimentally observed increase of more than a factor 2 for a tensile strain of only a few permille. We also discuss the scaling of the Poisson ratio, for which our simulations disagree with the predictions of the self-consistent screening approximation.

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arXiv2015

Effect of structural relaxation on the electronic structure of graphene on hexagonal boron nitride

We performed calculations of electronic, optical and transport properties of graphene on hBN with realistic moiré patterns. The latter are produced by structural relaxation using a fully atomistic model. This relaxation turns out to be crucially important for electronic properties. We describe experimentally observed features such as additional Dirac points and the "Hofstadter butterfly" structure of energy levels in a magnetic field. We find that the electronic structure is sensitive to many-body renormalization of the local energy gap.

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arXiv2015

Superlubric to stick-slip sliding of incommensurate graphene flakes on graphite

We calculate the friction of fully mobile graphene flakes sliding on graphite. For incommensurately stacked flakes, we find a sudden and reversible increase in friction with load, in agreement with experimental observations. The transition from smooth sliding to stick-slip and the corresponding increase in friction is neither due to rotations to commensurate contact nor to dislocations but to a pinning caused by vertical distortions of edge atoms also when they are saturated by Hydrogen. This behavior should apply to all layered materials with strong in-plane bonding.

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arXiv2015

Moir{é} patterns as a probe of interplanar interactions: graphene on h-BN

By atomistic modeling of moir{é} patterns of graphene on a substrate with a small lattice mismatch, we find qualitatively different strain distributions for small and large misorientation angles, corresponding to the commensurate-incommensurate transition recently observed in graphene on hexagonal BN. We find that the ratio of C-N and C-B interactions is the main parameter determining the different bond lengths in the center and edges of the moir{é} pattern. Agreement with experimental data is obtained only by assuming that the C-B interactions are at least twice weaker than the C-N interactions. The correspondence between the strain distribution in the nanoscale moir{é} pattern and the potential energy surface at the atomic scale found in our calculations, makes the moir{é} pattern a tool to study details of dispersive forces in van der Waals heterostructures.

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arXiv2015

Relaxation of moiré patterns for slightly misaligned identical lattices: graphene on graphite

We study the effect of atomic relaxation on the structure of moiré patterns in twisted graphene on graphite and double layer graphene by large scale atomistic simulations. The reconstructed structure can be described as a superlattice of `hot spots' with vortex-like behaviour of in-plane atomic displacements and increasing out-of-plane displacements with decreasing angle. These lattice distortions affect both scalar and vector potential and the resulting electronic properties. At low misorientation angles (<$\sim$1$^\circ$) the optimized structures deviate drastically from the sinusoidal modulation which is often assumed in calculations of the electronic properties. The proposed structure might be verified by scanning probe microscopy measurements.

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arXiv2014

Reply to 'Comment on "Thermodynamics of quantum crystalline membranes"'

In this note, we reply to the comment made by E.I.Kats and V.V.Lebedev [arXiv:1407.4298] on our recent work "Thermodynamics of quantum crystalline membranes" [Phys. Rev. B 89, 224307 (2014)]. Kats and Lebedev question the validity of the calculation presented in our work, in particular on the use of a Debye momentum as a ultra-violet regulator for the theory. We address and counter argue the criticisms made by Kats and Lebedev to our work.

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arXiv2014

Motion of domain walls and the dynamics of kinks in the magnetic Peierls potential

We study the dynamics of magnetic domain walls in the Peierls potential due to the discreteness of the crystal lattice. The propagation of a narrow domain wall (comparable to the lattice parameter) under the effect of a magnetic field proceeds through the formation of kinks in its profile. We predict that, despite the discreteness of the system, such kinks can behave like sine-Gordon solitons in thin films of materials such as yttrium iron garnets, and we derive general conditions for other materials. In our simulations we also observe long-lived breathers. We provide analytical expressions for the effective mass and limiting velocity of the kink in excellent agreement with our numerical results.

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arXiv2014

Thermodynamics of quantum crystalline membranes

We investigate the thermodynamic properties and the lattice stability of two-dimensional crystalline membranes, such as graphene and related compounds, in the low temperature quantum regime $T\rightarrow0$. A key role is played by the anharmonic coupling between in-plane and out-of plane lattice modes that, in the quantum limit, has very different consequences than in the classical regime. The role of retardation, namely of the frequency dependence, in the effective anharmonic interactions turns out to be crucial in the quantum regime. We identify a crossover temperature, $T^{*}$, between classical and quantum regimes, which is $\sim 70 - 90$ K for graphene. Below $T^{*}$, the heat capacity and thermal expansion coefficient decrease as power laws with decreasing temperature, tending to zero for $T\rightarrow0$ as required by the third law of thermodynamics.

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arXiv2014

Minimal graphene thickness for wear protection of diamond

We show by means of molecular dynamics simulations that graphene is an excellent coating for diamond. The transformation of diamond to amorphous carbon while sliding under pressure can be prevented by having at least two graphene layers between the diamond slabs, making this combination of materials suitable for new coatings and micro- and nanoelectromechanical devices. Grain boundaries, vacancies and adatoms on the diamond surface do not change this picture whereas reactive adsorbates between the graphene layers may have detrimental effects. Our findings can be explained by the properties of layered materials where the weak interlayer bonding evolves to a strong interlayer repulsion under pressure.

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arXiv2014

k.p subband structure of the LaAlO3/SrTiO3 interface

Heterostructures made of transition metal oxides are new tailor-made materials which are attracting much attention. We have constructed a 6-band k.p Hamiltonian and used it within the envelope function method to calculate the subband structure of a variety of LaAlO3/SrTiO3 heterostructures. By use of density functional calculations, we determine the k.p parameters describing the conduction band edge of SrTiO3: the three effective mass parameters, L=0.6104 eV AA^2, M=9.73 eV AA^2, N=-1.616 eV AA^2, the spin orbit splitting Delta_SO=28.5 meV and the low temperature tetragonal distortion energy splitting Delta_T=2.1 meV. For confined systems we find strongly anisotropic non-parabolic subbands. As an application we calculate bands, density of states and magnetic energy levels and compare the results to Shubnikov-de Haas quantum oscillations observed in high magnetic fields. For typical heterostructures we find that electric field strength at the interface of F = 0.1 meV/AA for a carrier density of 7.2 10^{12} cm^-2 results in a subband structure that is similar to experimental results.

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arXiv2013

Zero modes in magnetic systems: general theory and an efficient computational scheme

The presence of topological defects in magnetic media often leads to normal modes with zero frequency (zero modes). Such modes are crucial for long-time behavior, describing, for example, the motion of a domain wall as a whole. Conventional numerical methods to calculate the spin-wave spectrum in magnetic media are either inefficient or they fail for systems with zero modes. We present a new efficient computational scheme that reduces the magnetic normal-mode problem to a generalized Hermitian eigenvalue problem also in the presence of zero modes. We apply our scheme to several examples, including two-dimensional domain walls and Skyrmions, and show how the effective masses that determine the dynamics can be calculated directly. These systems highlight the fundamental distinction between the two types of zero modes that can occur in spin systems, which we call special and inertial zero modes. Our method is suitable for both conservative and dissipative systems. For the latter case, we present a perturbative scheme to take into account damping, which can also be used to calculate dynamical susceptibilities.

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