Flat bands without twists: periodic holey graphene.

Holey Graphene(HG) is a widely used graphene material for the synthesis of high-purity and highly crystalline materials. The electronic properties of a periodic distribution of lattice holes are explored here, demonstrating the emergence of flat bands. It is established that such flat bands arise as a consequence of an induced sublattice site imbalance, i.e. by having more sites in one of the graphene's bipartite sublattice than in the other. This is equivalent to the breaking of a path-exchange symmetry. By further breaking the inversion symmetry, gaps and a nonzero Berry curvature are induced, leading to topological bands. In particular, the folding of the Dirac cones from the hexagonal Brillouin zone (BZ) to the holey superlattice rectangular BZ of HG, with sizes proportional to an integerntimes the graphene's lattice parameter, leads to a periodicity in the gap formation such thatn≡0(mod 3). A low-energy hamiltonian for the three central bands is also obtained revealing that the system behaves as an effectiveα-T3graphene material. Therefore, a simple protocol is presented here that allows for obtaining flat bands at will. Such bands are known to increase electron-electron correlation effects. Therefore, the present work provides an alternative system that is much easier to build than twisted systems, allowing for the production of flat bands and potentially highly correlated quantum phases.

Modelling the creation of friends and foes groups in small real social networks.

Although friendship networks have been extensively studied, few models and studies are available to understand the reciprocity of friendship and foes. Here a model is presented to explain the directed friendship and foes network formation observed in experiments of Mexican and Hungarian schools. Within the presented model, each agent has a private opinion and a public one that shares to the group. There are two kinds of interactions between agents. The first kind represent interactions with the neighbors while the other represents the attitude of an agent to the overall public available information. Links between agents evolve as a combination of the public and private information available. Friendship is defined using a fitness function according to the strength of the agent's bonds, clustering coefficient, betweenness centrality and degree. Enmity is defined as very negative links. The model allows us to reproduce the distribution of mentions for friends and foes observed in the experiments, as well as the topology of the directed networks.

Mechanical, electronic, optical, piezoelectric and ferroic properties of strained graphene and other strained monolayers and multilayers: an update.

This is an update of a previous review (Naumiset al2017Rep. Prog. Phys.80096501). Experimental and theoretical advances for straining graphene and other metallic, insulating, ferroelectric, ferroelastic, ferromagnetic and multiferroic 2D materials were considered. We surveyed (i) methods to induce valley and sublattice polarisation (P) in graphene, (ii) time-dependent strain and its impact on graphene's electronic properties, (iii) the role of local and global strain on superconductivity and other highly correlated and/or topological phases of graphene, (iv) inducing polarisationPon hexagonal boron nitride monolayers via strain, (v) modifying the optoelectronic properties of transition metal dichalcogenide monolayers through strain, (vi) ferroic 2D materials with intrinsic elastic (σ), electric (P) and magnetic (M) polarisation under strain, as well as incipient 2D multiferroics and (vii) moiré bilayers exhibiting flat electronic bands and exotic quantum phase diagrams, and other bilayer or few-layer systems exhibiting ferroic orders tunable by rotations and shear strain. The update features the experimental realisations of a tunable two-dimensional Quantum Spin Hall effect in germanene, of elemental 2D ferroelectric bismuth, and 2D multiferroic NiI2. The document was structured for a discussion of effects taking place in monolayers first, followed by discussions concerning bilayers and few-layers, and it represents an up-to-date overview of exciting and newest developments on the fast-paced field of 2D materials.

Fubini-Study metric and topological properties of flat band electronic states: the case of an atomic chain withs - porbitals.

The topological properties of the flat band states of a one-electron Hamiltonian that describes a chain of atoms withs - porbitals are explored. This model is mapped onto a Kitaev-Creutz type model, providing a useful framework to understand the topology through a nontrivial winding number and the geometry introduced by theFubini-Study (FS)metric. This metric allows us to distinguish between pure states of systems with the same topology and thus provides a suitable tool for obtaining the fingerprint of flat bands. Moreover, it provides an appealing geometrical picture for describing flat bands as it can be associated with a local conformal transformation over circles in a complex plane. In addition, the presented model allows us to relate the topology with the formation of compact localized states and pseudo-Bogoliubov modes. Also, the properties of the squared Hamiltonian are investigated in order to provide a better understanding of the localization properties and the spectrum. The presented model is equivalent to two coupled SSH chains under a change of basis.

Two-atom-thin topological crystalline insulators lacking out of plane inversion symmetry.

A two-dimensional topological crystalline insulator (TCI) with a single unit cell (u.c.) thickness is demonstrated here. To that end, one first shows that tetragonal (C4in-plane) symmetry is not a necessary condition for the creation of zero-energy metallic surface states on TCI slabs of finite-thicknesses, because zero-energy states persist even as all the in-plane rotational symmetries-furnishing topological protection-are completely removed. In other words, zero-energy levels on the model are not due to (nor are they protected by) topology. Furthermore, effective two-fold energy degeneracies taking place at few discretek-points away from zero energy in the bulk Hamiltonian-that are topologically protected-persist at the u.c. thickness limit. The chiral nature of the bulk TCI Hamiltonian permits creating a2×2square Hamiltonian, whose topological properties remarkably hold invariant at both the bulk and at the single u.c. thickness limits. The identical topological characterization for bulk and u.c.-thick phases is further guaranteed by a calculation involving Pfaffians. This way, a two-atom-thick TCI is deployed hereby, in a demonstration of a topological phase that holds both in the bulk, and in two dimensions.

Scaling to zero of compressive modulus in disordered isostatic cubic networks.

Networks with as many mechanical constraints as degrees of freedom and no redundant constraints are minimally rigid or isostatic. Isostatic networks are relevant in the study of network glasses, soft matter, and sphere packings. Because of being at the verge of mechanical collapse, they have anomalous elastic and dynamical properties not found in the more commonly occurring hyperstatic networks. In particular, while hyperstatic networks are only slightly affected by geometric disorder, the elastic properties of isostatic networks are dramatically altered by it. In this paper, we show how disorder and system size strongly affect the ability of isostatic networks to sustain a compressive load. We develop an analytic method to calculate the bulk compressive modulus B for various boundary conditions as a function of disorder strength and system size. For simplicity, we consider square and cubic lattices with L^{d} sites, each having d mechanical degrees of freedom, and dL^{d} rotatable springs in the presence of hot-solid disorder of magnitude ε. Additionally, ∼L^{θ} sites may be fixed, thus introducing a nonextensive number of redundancies, either in the bulk or on the boundaries of the system. In all cases, B is analytically and numerically shown to decay as L^{-µ} with µ_{large}=d-θ for large disorder and µ_{small}=max{(d-θ-1),0} for small disorder. Furthermore B(L,ε)L^{µ_{small}}=g(λ) with λ=L^{(µ_{large}-µ_{small})}ε^{2} a scaling variable such that λ<<1 is small disorder and λ>1 is large disorder. The faster decay to zero of B in the large disorder regime results from a broad distribution of spring tensions, including tensions of both signs in equal proportions, which is remarkable since the system is under a purely compressive load. Notably, the bulk modulus is discontinuous at ε=0, a consequence of the fact that the regular network sits at an unstable degenerate configuration.

Description of mesoscale pattern formation in shallow convective cloud fields by using time-dependent Ginzburg-Landau and Swift-Hohenberg stochastic equations.

The time-dependent Ginzburg-Landau (or Allen-Cahn) equation and the Swift-Hohenberg equation, both added with a stochastic term, are proposed to describe cloud pattern formation and cloud regime phase transitions of shallow convective clouds organized in mesoscale systems. The starting point is the Hottovy-Stechmann linear spatiotemporal stochastic model for tropical precipitation, used to describe the dynamics of water vapor and tropical convection. By taking into account that shallow stratiform clouds are close to a self-organized criticality and that water vapor content is the order parameter, it is observed that sources must have nonlinear terms in the equation to include the dynamical feedback due to precipitation and evaporation. The nonlinear terms are derived by using the known mean field of the Ising model, as the Hottovy-Stechmann linear model presents the same probability distribution. The inclusion of this nonlinearity leads to a kind of time-dependent Ginzburg-Landau stochastic equation, originally used to describe superconductivity phases. By performing numerical simulations, pattern formation is observed. These patterns are better compared with real satellite observations than the pure linear model. This is done by comparing the spatial Fourier transform of real and numerical cloud fields. However, for highly ordered cellular convective phases, considered as a form of Rayleigh-Bénard convection in moist atmospheric air, the Ginzburg-Landau model does not allow us to reproduce such patterns. Therefore, a change in the form of the small-scale flux convergence term in the equation for moist atmospheric air is proposed. This allows us to derive a Swift-Hohenberg equation. In the case of closed cellular and roll convection, the resulting patterns are much more organized than the ones obtained from the Ginzburg-Landau equation and better reproduce satellite observations as, for example, horizontal convective fields.

Electronic spectrum of Kekulé patterned graphene considering second neighbor-interactions.

The effects of second-neighbor interactions in Kekulé-Y patterned graphene electronic properties are studied starting from a tight-binding Hamiltonian. Thereafter, a low-energy effective Hamiltonian is obtained by projecting the high energy bands at the Γ point into the subspace defined by the Kekulé wave vector. The spectrum of the low energy Hamiltonian is in excellent agreement with the one obtained from a numerical diagonalization of the full tight-binding Hamiltonian. The main effect of the second-neighbour interaction is that a set of bands gains an effective mass and a shift in energy, thus lifting the degeneracy of the conduction bands at the Dirac point. This band structure is akin to a 'pseudo spin-one Dirac cone', a result expected for honeycomb lattices with a distinction between one third of the atoms in one sublattice. Finally, we present a study of Kekulé patterned graphene nanoribbons. This shows that the previous effects are enhanced as the width decreases. Moreover, edge states become dispersive, as expected due to second neighbors interaction, but here the Kek-Y bond texture results in an hybridization of both edge states. The present study shows the importance of second neighbors in realistic models of Kekulé patterned graphene, specially at surfaces.

Más Allá de La Filogenética: Evolución Darwiniana de La Actina / Beyond Phylogenetics: Darwinian Evolution of Actin

Resumen La actina es una proteína que se polimeriza para formar citoesqueletos y cuya función es estabilizar y dirigir el movimiento de las paredes celulares. Es una de las proteínas más estables, habiendo evolucionado poco a partir de algas y levaduras, y muy poco desde los peces. Aquí analizamos la evolución de la actina usando las teorías modernas de las interacciones de conformación proteína-agua, y cómo estas han evolucionado para optimizar las funciones de la proteína. Llegamos a la conclusión de que el fracaso del análisis filogenético para identificar positivamente la evolución darwiniana de las proteínas ha sido causado por las limitaciones técnicas propias del siglo XX. Estas limitaciones pueden ser superadas mediante el escalamiento termodinámico y el promedio modular ambos llevados a niveles técnicos del siglo XXI. Los resultados para la actina son especialmente llamativos y reflejan estructuras duales estables, globulares y polimerizadas.

Abstract Actin polymerizes to form cytoskeletons which stabilize and direct motion of cellular walls. It is one of the most stable proteins, having evolved little from algae and yeast, and very little from fish. Here we analyze actin evolution using modern theories of water-protein shaping interactions, and how these have evolved to optimize protein functions. We conclude that the failure of phylogenetic analysis to identify positive Darwinian evolution has been caused by 20th century technical limitations. These are overcome using 21st century thermodynamic scaling and modular averaging. The results for actin are especially striking, and reflect dual stable structures, globular and polymerized.

Escape time, relaxation, and sticky states of a softened Henon-Heiles model: Low-frequency vibrational mode effects and glass relaxation.

Here we study the relaxation of a chain consisting of three masses joined by nonlinear springs and periodic conditions when the stiffness is weakened. This system, when expressed in their normal coordinates, yields a softened Henon-Heiles system. By reducing the stiffness of one low-frequency vibrational mode, a faster relaxation is enabled. This is due to a reduction of the energy barrier heights along the softened normal mode as well as for a widening of the opening channels of the energy landscape in configurational space. The relaxation is for the most part exponential, and can be explained by a simple flux equation. Yet, for some initial conditions the relaxation follows as a power law, and in many cases there is a regime change from exponential to power-law decay. We pinpoint the initial conditions for the power-law decay, finding two regions of sticky states. For such states, quasiperiodic orbits are found since almost for all components of the initial momentum orientation, the system is trapped inside two pockets of configurational space. The softened Henon-Heiles model presented here is intended as the simplest model in order to understand the interplay of rigidity, nonlinear interactions and relaxation for nonequilibrium systems such as glass-forming melts or soft matter. Our softened system can be applied to model ß relaxation in glasses and suggest that local reorientational jumps can have an exponential and a nonexponential contribution for relaxation, the latter due to asymmetric molecules sticking in cages for certain orientations.

Electronic and optical properties of strained graphene and other strained 2D materials: a review.

This review presents the state of the art in strain and ripple-induced effects on the electronic and optical properties of graphene. It starts by providing the crystallographic description of mechanical deformations, as well as the diffraction pattern for different kinds of representative deformation fields. Then, the focus turns to the unique elastic properties of graphene, and to how strain is produced. Thereafter, various theoretical approaches used to study the electronic properties of strained graphene are examined, discussing the advantages of each. These approaches provide a platform to describe exotic properties, such as a fractal spectrum related with quasicrystals, a mixed Dirac-Schrödinger behavior, emergent gravity, topological insulator states, in molecular graphene and other 2D discrete lattices. The physical consequences of strain on the optical properties are reviewed next, with a focus on the Raman spectrum. At the same time, recent advances to tune the optical conductivity of graphene by strain engineering are given, which open new paths in device applications. Finally, a brief review of strain effects in multilayered graphene and other promising 2D materials like silicene and materials based on other group-IV elements, phosphorene, dichalcogenide- and monochalcogenide-monolayers is presented, with a brief discussion of interplays among strain, thermal effects, and illumination in the latter material family.

Sound waves induce Volkov-like states, band structure and collimation effect in graphene.

We find exact states of graphene quasiparticles under a time-dependent deformation (sound wave), whose propagation velocity is smaller than the Fermi velocity. To solve the corresponding effective Dirac equation, we adapt the Volkov-like solutions for relativistic fermions in a medium under a plane electromagnetic wave. The corresponding electron-deformation quasiparticle spectrum is determined by the solutions of a Mathieu equation resulting in band tongues warped in the surface of the Dirac cones. This leads to a collimation effect of electron conduction due to strain waves.

Anisotropic AC conductivity of strained graphene.

The density of states and the AC conductivity of graphene under uniform strain are calculated using a new Dirac Hamiltonian that takes into account the main three ingredients that change the electronic properties of strained graphene: the real displacement of the Fermi energy, the reciprocal lattice strain and the changes in the overlap of atomic orbitals. Our simple analytical expressions for the density of states and the AC conductivity generalize previous expressions for uniaxial strain. The results suggest a way to measure the Grüneisen parameter ß that appears in any calculation of strained graphene, as well as the emergence of a sort of Hall effect due to shear strain.

Simple solvable energy-landscape model that shows a thermodynamic phase transition and a glass transition.

When a liquid melt is cooled, a glass or phase transition can be obtained depending on the cooling rate. Yet, this behavior has not been clearly captured in energy-landscape models. Here, a model is provided in which two key ingredients are considered in the landscape, metastable states and their multiplicity. Metastable states are considered as in two level system models. However, their multiplicity and topology allows a phase transition in the thermodynamic limit for slow cooling, while a transition to the glass is obtained for fast cooling. By solving the corresponding master equation, the minimal speed of cooling required to produce the glass is obtained as a function of the distribution of metastable states.

Mean-square-displacement distribution in crystals and glasses: An analysis of the intrabasin dynamics.

In the energy landscape picture, the dynamics of glasses and crystals is usually decomposed into two separate contributions: interbasin and intrabasin dynamics. The intrabasin dynamics depends partially on the quadratic displacement distribution on a given metabasin. Here we show that such a distribution can be approximated by a Gamma function, with a mean that depends linearly on the temperature and on the inverse second moment of the density of vibrational states. The width of the distribution also depends on this last quantity, and thus the contribution of the boson peak in glasses is evident on the tail of the distribution function. It causes the distribution of the mean-square displacement to decay slower in glasses than in crystals. When a statistical analysis is performed under many energy basins, we obtain a Gaussian in which the width is regulated by the mean inverse second moment of the density of states. Simulations performed in binary glasses are in agreement with such a result.

Critical wavefunctions in disordered graphene.

In order to elucidate the presence of non-localized states in doped graphene, a scaling analysis of the wavefunction moments, known as inverse participation ratios, is performed. The model used is a tight-binding Hamiltonian considering nearest and next-nearest neighbors with random substitutional impurities. Our findings indicate the presence of non-normalizable wavefunctions that follow a critical (power-law) decay, which show a behavior intermediate between those of metals and insulators. The power-law exponent distribution is robust against the inclusion of next-nearest neighbors and growing the system size.

Doped graphene: the interplay between localization and frustration due to the underlying triangular symmetry.

An intuitive explanation of the increase in localization observed near the Dirac point in doped graphene is presented. To do this, we renormalize the tight binding Hamiltonians in such a way that the honeycomb lattice maps into a triangular one. Then, we investigate the frustration effects that emerge in this Hamiltonian. In this doped triangular lattice, the eigenstates have a bonding and antibonding contribution near the Dirac point, and thus there is a kind of Lifshitz tail. The increase in frustration is related to an increase in localization, since the number of frustrated bonds decreases with disorder, while the frustration contribution raises.

Excess of low frequency vibrational modes and glass transition: a molecular dynamics study for soft spheres at constant pressure.

Using molecular dynamics at constant pressure, the relationship between the excess of low frequency vibrational modes (known as the boson peak) and the glass transition is investigated for a truncated Lennard-Jones potential. It is observed that the quadratic mean displacement is enhanced by such modes, as predicted using a harmonic Hamiltonian for metastable states. As a result, glasses loose mechanical stability at lower temperatures than the corresponding crystal, since the Lindemann criteria are observed, as is also deduced from density functional theory. Finally, we found that the average force and elastic constant are reduced in the glass due to such excess of modes. The ratio between average elastic constants can be approximated using the 2/3 rule between melting and glass transition temperatures.

Thermal relaxation and low-frequency vibrational anomalies in simple models of glasses: a study using nonlinear Hamiltonians.

Glasses exist because they are not able to relax in a laboratory time scale toward the most stable structure: a crystal. At the same time, glasses present low-frequency vibrational-mode (LFVM) anomalies. We explore in a systematic way how the number of such modes influences thermal relaxation in one-dimensional models of glasses. The model is a Fermi-Pasta-Ulam chain with nonlinear springs that join second neighbors at random, which mimics the adding of bond constraints in the rigidity theory of glasses. The corresponding number of LFVMs decreases linearly with the concentration of these springs, and thus their effect upon thermal relaxation can be studied in a systematic way. To do so, we performed numerical simulations using lattices that were thermalized and afterwards placed in contact with a zero-temperature bath. The results indicate that the time required for thermal relaxation has two contributions: one depends on the number of LFVMs and the other on the localization of modes due to disorder. By removing LFVMs, relaxation becomes less efficient since the cascade mechanism that transfers energy between modes is stopped. On the other hand, normal-mode localization also increases the time required for relaxation. We prove this last point by comparing periodic and nonperiodic chains that have the same number of LFVMs.