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Erio Tosatti

Publications and source records attributed to Erio Tosatti.

At least 19 recordsLinked to original sources

Phononic frictional losses of a particle crossing a crystal: linear-response theory

We address weak-coupling frictional sliding with phononic dissipation by means of analytic many-body techniques. Our model consists of a particle (the "slider") moving through a two- or three-dimensional crystal and interacting weakly with its atoms, and therefore exciting phonons. By means of linear-response theory we obtain explicit expressions for the friction force slowing down the slider as a function of its speed, and compare them to the friction obtained by simulations, demonstrating a remarkable accord.

cond-mat.mes-hall

The electronic structure of a doped Mott-Hubbard surface

The Sn/Si(111)-({\sqrt}3{\times}{\sqrt}3)R30° surface, a 2D Mott insulator, has long been predicted and then found experimetally to metallize and even turn superconducting upon boron doping. In order to clarify the structural, spectroscopic and theoretical details of that evolution, here we present ARPES data supplementing morphology and scanning tunneling measurements. These combined experimental results are compared with predictions from a variety of electronic structure approaches, mostly density functional DFT+U, but not neglecting Mott-Hubbard models, both ordered and disordered. These theoretical pictures address different spectroscopic aspects, including the 2D Fermi surface, the Hubbard bands, etc. While no single picture account for all observations at once,the emergent hypothesis compatible with all data is that metallization arises from sub-subsurface boron doping, additional to the main standard subsurface boron geometry, that would leave the surface insulating. These results advance the indispensable frame for the further understanding of this fascinating system.

cond-mat.str-el

Superlubric-Locked Transition of Twist Grain Boundaries in 3D Crystals

Properties of twist grain boundaries (TGB), long known structurally but not tribologically, are simulated under sliding and load, with Au(111) our test case. The load-free TGB moiré is smooth and superlubric at incommensurate twists. Strikingly, load provokes a first-order structural transformation, where the highest energy moiré nodes are removed -- an Aubry-type transition for which we provide a Landau theory and a twist-load phase diagram. Upon frictional sliding, the transformation causes a superlubric-locked transition, with a huge friction jump, and irreversible plastic flow. The predicted phenomena are robust, also recovered in a Lennard-Jones lattice TGB, and not exclusive to gold or to metals.

cond-mat.mes-hall

Striped twisted state in the orientational epitaxy on quasicrystals

The optimal "twisted" geometry of a crystalline layer on a crystal is long known, but that on a quasicrystal is still unknown and open. We predict analytically that the layer equilibrium configuration will generally exhibit a nonzero misfit angle. The theory perfectly agrees with numerical optimization of a colloid monolayer on a quasiperiodic decagonal optical lattice. Strikingly different from crystal-on-crystal epitaxy, the structure of the novel emerging twisted state exhibits an unexpected stripe pattern. Its high anisotropy should reflect on the tribomechanical properties of this unconventional interface.

cond-mat.mes-hall

Can Neural Networks Learn Nanoscale Friction?

Current nanofriction experiments on crystals, both tip-on-surface and surface-on-surface, provide force traces as their sole output, typically exhibiting atomic size stick-slip oscillations. Physically interpreting these traces is a task left to the researcher. Historically done by hand, it generally consists in identifying the parameters of a Prandtl-Tomlinson (PT) model that best reproduces these traces. This procedure is both work-intensive and quite uncertain. We explore in this work how machine learning (ML) could be harnessed to do that job with optimal results, and minimal human work. A set of synthetic force traces is produced by PT model simulations covering a large span of parameters, and a simple neural network (NN) perceptron is trained with it. Once this trained NN is fed with experimental force traces, it will ideally output the PT parameters that best approximate them. By following this route step by step, we encountered and solved a variety of problems which proved most instructive and revealing. In particular, and very importantly, we met unexpected inaccuracies with which one or another parameter was learned by the NN. The problem, we then show, could be eliminated by proper manipulations and augmentations operated on the training force traces, and that without extra efforts and without injecting experimental informations. Direct application to the sliding of a graphene coated AFM tip on a variety of 2D materials substrates validates and encourages use of this ML method as a ready tool to rationalise and interpret future stick-slip nanofriction data.

cond-mat.mes-hall

Universal Moiré Buckling of Freestanding 2D Bilayers

The physics of membranes, a classic subject, acquires new momentum from two-dimensional (2D) materials multilayers. This work reports the surprising results emerged during a theoretical study of equilibrium geometry of bilayers as freestanding membranes. While ordinary membranes are prone to buckle around compressive impurities, we predict that all 2D material freestanding bilayers universally undergo, even if impurity-free, a spontaneous out-of-plane buckling. The moiré network nodes here play the role of internal impurities, the dislocations that join them giving rise to a stress pattern, purely shear in homo-bilayers and mixed compressive/shear in hetero-bilayers. That intrinsic stress is, theory and simulations show, generally capable to cause all freestanding 2D bilayers to undergo distortive bucklings with large amplitudes and a rich predicted phase transition scenario. Realistic simulations predict quantitative parameters expected for these phenomena as expected in hetero-bilayers such as graphene/hBN, $\rm{WS_2/WSe_2}$ hetero-bilayers, and for twisted homo-bilayers such as graphene, hBN, $\rm{MoS_2}$. Buckling then entails a variety of predicted consequences. Mechanically, a critical drop of bending stiffness is expected at all buckling transitions. Thermally, the average buckling corrugation decreases with temperature, with buckling-unbuckling phase transitions expected in some cases, and the buckled state often persisting even above room temperature. Buckling will be suppressed by deposition on hard attractive substrates, and survive in reduced form on soft ones. Frictional, electronic and other associated phenomena are also highlighted. The universality and richness of these predicted phenomena strongly encourages an experimental search, which is possible but still missing.

cond-mat.mes-hall

Effective stick-slip parameter for structurally lubric 2D interface friction

The wear-free sliding of layers or flakes of graphene-like 2D materials, important in many experimental systems, may occur either smoothly or through stick-slip, depending on driving conditions, corrugation, twist angles, as well as edges and defects. No single parameter has been so far identified to discriminate a priori between the two sliding regimes. Such a parameter, $η$, does exist in the ideal (Prandtl-Tomlinson) problem of a point particle sliding across a 1D periodic lattice potential. In that case $η>1$ implies mechanical instability, generally leading to stick-slip, with $η= \frac{2π^2 U_0}{K_\mathrm{p} a^2}$, where $U_0$ is the potential magnitude, $a$ the lattice spacing, and $K_\mathrm{p}$ the pulling spring constant. Here we show, supported by a repertoire of graphene flake/graphene sliding simulations, that a similar stick-slip predictor $η_\mathrm{eff}$ can be defined with the same form but suitably defined $U_\mathrm{eff}$, $a_\mathrm{eff}$ and $K_\mathrm{eff}$. Remarkably, simulations show that $a_\mathrm{eff} = a$ of the substrate remains an excellent approximation, while $K_\mathrm{eff}$ is an effective stiffness parameter, combining equipment and internal elasticity. Only the effective energy barrier $U_\mathrm{eff}$ needs to be estimated in order to predict whether stick-slip sliding of a 2D island or extended layer is expected or not. In a misaligned defect-free circular graphene sliding island of contact area $A$, we show that $U_\mathrm{eff}$, whose magnitude for a micrometer size diameter is of order 1 eV, scales as $A^{1/4}$, thus increasing very gently with size. The PT-like parameter $η_\mathrm{eff}$ is therefore proposed as a valuable tool in 2D layer sliding.

cond-mat.mtrl-sci

Rheological softening of metal nanocontacts sheared under oscillatory strains

The way metal interfaces evolve during frictional sliding, and how that evolution can be externally influenced under external drivers are important questions, hard to investigate experimentally because the contacts themselves are generally difficult to access. Here we focus on an elementary constituent of a general metal-metal interface, namely an ultra-thin individual nanocontact, where recent rheological studies of crystalline gold nanocontacts [Nature 569, 393 (2019)] showed a dramatic and unexpected mechanical softening as a result of external oscillatory tensile stress. The question which we address through realistic nonequilibrium molecular dynamics simulations is to what extent such mechanical softening might influence the shearing habit of gold nanocontacts at room temperature. It is found that the shearing evolution, which occurs through a series of discrete slips, is indeed rheologically softened, even though not completely, by the oscillations. Differences also emerge for different types of external oscillation, tensile or rotational. The relevance of these results for future experiments will be discussed.

cond-mat.mtrl-sci

Kinetic Friction of Structurally Superlubric 2D Material Interfaces

The ultra-low kinetic friction F_k of 2D structurally superlubric interfaces, connected with the fast motion of the incommensurate moiré pattern, is often invoked for its linear increase with velocity v_0 and area A, but never seriously addressed and calculated so far. Here we do that, exemplifying with a twisted graphene layer sliding on top of bulk graphite -- a demonstration case that could easily be generalized to other systems. Neglecting quantum effects and assuming a classical Langevin dynamics, we derive friction expressions valid in two temperature regimes. At low temperatures the nonzero sliding friction velocity derivative dF_k/dv_0 is shown by Adelman-Doll-Kantorovich type approximations to be equivalent to that of a bilayer whose substrate is affected by an analytically derived effective damping parameter, replacing the semi-infinite substrate. At high temperatures, friction grows proportional to temperature as analytically required by fluctuation-dissipation. The theory is validated by non-equilibrium molecular dynamics simulations with different contact areas, velocities, twist angles and temperatures. Using 6^{\circ}-twisted graphene on Bernal graphite as a prototype we find a shear stress of measurable magnitude, from 25 kPa at low temperature to 260 kPa at room temperature, yet only at high sliding velocities such as 100 m/s. However, it will linearly drop many orders of magnitude below measurable values at common experimental velocities such as 1 μm/s, a factor 10^{-8} lower. The low but not ultra-low "engineering superlubric" friction measured in existing experiments should therefore be attributed to defects and/or edges, whose contribution surpasses by far the negligible moiré contribution.

cond-mat.mtrl-sci

Bending Stiffness Collapse, Buckling, Topological Bands of Freestanding Twisted Bilayer Graphene

The freestanding twisted bilayer graphene (TBG) is unstable, below a critical twist angle θ_c~3.7 degrees, against a moire (2 \times 1) buckling distortion at T=0. Realistic simulations reveal the concurrent unexpected collapse of the bending rigidity, an unrelated macroscopic mechanical parameter. An analytical model connects bending and buckling anomalies at T=0, but as temperature rises the former fades, while buckling persists further. The (2 \times 1) electronic properties are also surprising. The magic twist angle narrow bands, now eight in number, fail to show zone boundary splittings despite the new periodicity. Symmetry shows how this is dictated by an effective single valley physics. These structural, critical, and electronic predictions promise to make the freestanding state of TBG especially interesting.

cond-mat.mes-hall

My friend Alex Müller

Alex, the main discoverer of high Tc superconductivity, was also a dear friend. Here I offer a few frank anecdotes, possibly inaccurate in some details but heartfelt and accurate in the substance, as a personal tribute to our friendship.

physics.hist-ph

Anisotropic Rheology and Friction of Suspended Graphene

Graphene is a powerful membrane prototype for both applications and fundamental research. Rheological phenomena including indentation, twisting, and wrinkling in deposited and suspended graphene are actively investigated to unravel the mechanical laws at the nanoscale. Most studies focused on isotropic set-ups, while realistic graphene membranes are often subject to strongly anisotropic constraints, with important consequences for the rheology, strain, indentation, and friction in engineering conditions.

cond-mat.mtrl-sci

Sliding and Pinning in Structurally Lubric 2D Material Interfaces

A plethora of two-dimensional (2D) materials entered the physics and engineering scene in the last two decades. Their robust, membrane-like sheet permit -- mostly require -- deposition, giving rise to solid-solid dry interfaces whose bodily mobility, pinning, and general tribological properties under shear stress are currently being understood and controlled, experimentally and theoretically. In this Colloquium we use simulation case studies of twisted graphene system as a prototype workhorse tool to demonstrate and discuss the general picture of 2D material interface sliding. First, we highlight the crucial mechanical difference, often overlooked, between small and large incommensurabilities, corresponding e.g., to small and large twist angles in graphene interfaces. In both cases, focusing on flat, structurally lubric, "superlubric" geometries, we elucidate and review the generally separate scaling with area of static friction in pinned states and of kinetic friction during sliding, tangled as they are with the effects of velocity, temperature, load, and defects. Including the role of island boundaries and of elasticity, and corroborating when possible the existing case-by-case results in literature beyond graphene, the overall picture proposed is meant for general 2D material interfaces, that are of importance for the physics and technology of existing and future bilayer and multilayer systems.

cond-mat.mtrl-sci

Frictionless nanohighways on crystalline surfaces

The understanding of friction at nano-scales, ruled by the regular arrangement of atoms, is surprisingly incomplete. Here we provide a unified understanding by studying the interlocking potential energy of two infinite contacting surfaces with arbitrary lattice symmetries, and extending it to finite contacts. We categorize, based purely on geometrical features, all possible contacts into three different types: a structurally lubric contact where the monolayer can move isotropically without friction, a corrugated and strongly interlocked contact, and a newly discovered directionally structurally lubric contact where the layer can move frictionlessly along one specific direction and retains finite friction along all other directions. This novel category is energetically stable against rotational perturbations and provides extreme friction anisotropy. The finite-size analysis shows that our categorization applies to a wide range of technologically relevant materials in contact, from adsorbates on crystal surfaces to layered two-dimensional materials and colloidal monolayers.

cond-mat.soft

The Smallest Archimedean Screw: Facet Dynamics and Friction in Multi-Walled Nanotubes

We identify a new material phenomenon, where minute mechanical manipulations induce pronounced global structural reconfigurations in faceted multi-walled nanotubes. This behavior has strong implications on the tribological properties of these systems and may be the key to understand the enhanced inter-wall friction recently measured for boron-nitride nanotubes with respect to their carbon counterparts. Notably, the fast rotation of helical facets in these systems upon coaxial sliding may serve as a nanoscale Archimedean screw for directional transport of physisorbed molecules.

cond-mat.mes-hall

Multiwalled nanotube faceting unravelled

Nanotubes show great promise for miniaturizing advanced technologies. Their exceptional physical properties are intimately related to their morphological and crystal structure. Circumferential faceting of multiwalled nanotubes reinforces their mechanical strength and alters their tribological and electronic properties. Here, the nature of this important phenomenon is fully rationalized in terms of interlayer registry patterns. Regardless of the nanotube identity (that is, diameter, chirality, chemical composition), faceting requires the matching of the chiral angles of adjacent layers. Above a critical diameter that corresponds well with experimental results, achiral multiwalled nanotubes display evenly spaced extended axial facets whose number equals the interlayer difference in circumferential unit cells. Elongated helical facets, commonly observed in experiment, appear in nanotubes that exhibit small interlayer chiral angle mismatch. When the wall chiralities are uncorrelated, faceting is suppressed and outer layer corrugation, which is induced by the moiré superlattice, is obtained in agreement with experiments. Finally, we offer an explanation for the higher incidence of faceting in multiwalled boron nitride nanotubes with respect to their carbon-based counterparts.

cond-mat.mes-hall

Kondo nanomechanical dissipation in the driven Anderson impurity model

The cyclic sudden switching of a magnetic impurity from Kondo to a non-Kondo state and back was recently shown to involve an important dissipation of the order of several $k_BT_K$ per cycle. The possibility to reveal this and other electronic processes through nanomechanical dissipation by e.g., ultrasensitive Atomic Force Microscope (AFM) tools currently represents an unusual and interesting form of spectroscopy. Here we explore the dependence on the switching time of the expected dissipation, a quantity whose magnitude is physically expected to drop from maximum to zero between sudden and slow switching, respectively. By applying a recently established matrix-product-state based time-dependent variational algorithm to the magnetic field-induced Kondo switching in an Anderson model of the magnetic impurity, we find that dissipation requires switching within the Kondo time scale $\hbar(k_B T_K)^{-1}$ or faster. While such a fast switching seems problematic for current AFM setups, the challenge is open for future means to detect this dissipation by time-dependent magnetic fields, electrostatic impurity level shift, or hybridization switching.

cond-mat.str-el

Critical Peeling of Tethered Nanoribbons

The peeling of an immobile adsorbed membrane is a well known problem in engineering and macroscopic tribology. In the classic setup, picking up at one extreme and pulling off results in a peeling force that is a decreasing function of the pickup angle. As one end is lifted, the detachment front retracts to meet the immobile tail. At the nanoscale, interesting situations arise with the peeling of graphene nanoribbons (GNRs) on gold, as realized, e.g., by atomic force microscopy. The nanosized system shows a constant-force steady peeling regime, where the tip lifting h produces no retraction of the ribbon detachment point, and just an advancement h of the free tail end. This is opposite to the classic case, where the detachment point retracts and the tail end stands still. Here we characterise, by analytical modeling and numerical simulations, a third, experimentally relevant, setup where the nanoribbon, albeit structurally lubric, does not have a freely moving tail end, which is instead elastically tethered. Surprisingly, novel nontrivial scaling exponents appear that regulate the peeling evolution. As the detachment front retracts and the tethered tail is stretched, power laws of h characterize the shrinking of the adhered length the growth of peeling force and the peeling angle. These exponents precede the final total detachment as a critical point, where the entire ribbon eventually hangs suspended between the tip and tethering spring. These analytical predictions are confirmed by realistic MD simulations, retaining the full atomistic description, also confirming their survival at finite experimental temperatures.

cond-mat.mes-hall