Electronic States of Graphene Grain Boundaries

We introduce a model for amorphous grain boundaries in graphene, and find that stable structures can exist along the boundary that are responsible for local density of states enhancements both at zero and finite (~0.5 eV) energies. Such zero energy peaks in particular were identified in STS measurements [J. \v{C}ervenka, M. I. Katsnelson, and C. F. J. Flipse, Nature Physics 5, 840 (2009)], but are not present in the simplest pentagon-heptagon dislocation array model [O. V. Yazyev and S. G. Louie, Physical Review B 81, 195420 (2010)]. We consider the low energy continuum theory of arrays of dislocations in graphene and show that it predicts localized zero energy states. Since the continuum theory is based on an idealized lattice scale physics it is a priori not literally applicable. However, we identify stable dislocation cores, different from the pentagon-heptagon pairs, that do carry zero energy states. These might be responsible for the enhanced magnetism seen experimentally at graphite grain boundaries.Comment: 10 pages, 4 figures, submitted to Physical Review

Topological Defects Coupling Smectic Modulations to Intra-unit-cell Nematicity in Cuprate

We study the coexisting smectic modulations and intra-unit-cell nematicity in the pseudogap states of underdoped Bi2Sr2CaCu2O8+{\delta}. By visualizing their spatial components separately, we identified 2\pi topological defects throughout the phase-fluctuating smectic states. Imaging the locations of large numbers of these topological defects simultaneously with the fluctuations in the intra-unit-cell nematicity revealed strong empirical evidence for a coupling between them. From these observations, we propose a Ginzburg-Landau functional describing this coupling and demonstrate how it can explain the coexistence of the smectic and intra-unit-cell broken symmetries and also correctly predict their interplay at the atomic scale. This theoretical perspective can lead to unraveling the complexities of the phase diagram of cuprate high-critical-temperature superconductors

Commensurate 4a04a_0 period Charge Density Modulations throughout the Bi2Sr2CaCu2O8+xBi_2Sr_2CaCu_2O_{8+x} Pseudogap Regime

Theories based upon strong real space (r-space) electron electron interactions have long predicted that unidirectional charge density modulations (CDM) with four unit cell (4$a_0$) periodicity should occur in the hole doped cuprate Mott insulator (MI). Experimentally, however, increasing the hole density p is reported to cause the conventionally defined wavevector $Q_A$ of the CDM to evolve continuously as if driven primarily by momentum space (k-space) effects. Here we introduce phase resolved electronic structure visualization for determination of the cuprate CDM wavevector. Remarkably, this new technique reveals a virtually doping independent locking of the local CDM wavevector at $|Q_0|=2\pi/4a_0$ throughout the underdoped phase diagram of the canonical cuprate $Bi_2Sr_2CaCu_2O_8$. These observations have significant fundamental consequences because they are orthogonal to a k-space (Fermi surface) based picture of the cuprate CDM but are consistent with strong coupling r-space based theories. Our findings imply that it is the latter that provide the intrinsic organizational principle for the cuprate CDM state

Machine Learning in Electronic Quantum Matter Imaging Experiments

Essentials of the scientific discovery process have remained largely unchanged for centuries: systematic human observation of natural phenomena is used to form hypotheses that, when validated through experimentation, are generalized into established scientific theory. Today, however, we face major challenges because automated instrumentation and large-scale data acquisition are generating data sets of such volume and complexity as to defy human analysis. Radically different scientific approaches are needed, with machine learning (ML) showing great promise, not least for materials science research. Hence, given recent advances in ML analysis of synthetic data representing electronic quantum matter (EQM), the next challenge is for ML to engage equivalently with experimental data. For example, atomic-scale visualization of EQM yields arrays of complex electronic structure images, that frequently elude effective analyses. Here we report development and training of an array of artificial neural networks (ANN) designed to recognize different types of hypothesized order hidden in EQM image-arrays. These ANNs are used to analyze an experimentally-derived EQM image archive from carrier-doped cuprate Mott insulators. Throughout these noisy and complex data, the ANNs discover the existence of a lattice-commensurate, four-unit-cell periodic, translational-symmetry-breaking EQM state. Further, the ANNs find these phenomena to be unidirectional, revealing a coincident nematic EQM state. Strong-coupling theories of electronic liquid crystals are congruent with all these observations.Comment: 44 pages, 15 figure

Kaluza-Klein description of geometric phases in graphene

In this paper, we use the Kaluza-Klein approach to describe topological defects in a graphene layer. Using this approach, we propose a geometric model allowing to discuss the quantum flux in $K$-spin subspace. Within this model, the graphene layer with a topological defect is described by a four-dimensional metric, where the deformation produced by the topological defect is introduced via the three-dimensional part of metric tensor, while an Abelian gauge field is introduced via an extra dimension. We use this new geometric model to discuss the arising of topological quantum phases in a graphene layer with a topological defect.Comment: 16 pages, version accepted to Annals of Physic

Dirac fermions on a disclinated flexible surface

A self-consisting gauge-theory approach to describe Dirac fermions on flexible surfaces with a disclination is formulated. The elastic surfaces are considered as embeddings into R^3 and a disclination is incorporated through a topologically nontrivial gauge field of the local SO(3) group which generates the metric with conical singularity. A smoothing of the conical singularity on flexible surfaces is naturally accounted for by regarding the upper half of two-sheet hyperboloid as an elasticity-induced embedding. The availability of the zero-mode solution to the Dirac equation is analyzed.Comment: 6 page

Visualizing the emergence of the pseudogap state and the evolution to superconductivity in a lightly hole-doped Mott insulator

Superconductivity emerges from the cuprate antiferromagnetic Mott state with hole doping. The resulting electronic structure is not understood, although changes in the state of oxygen atoms appear paramount. Hole doping first destroys the Mott state yielding a weak insulator where electrons localize only at low temperatures without a full energy gap. At higher doping, the 'pseudogap', a weakly conducting state with an anisotropic energy gap and intra-unit-cell breaking of 90\degree-rotational (C4v) symmetry appears. However, a direct visualization of the emergence of these phenomena with increasing hole density has never been achieved. Here we report atomic-scale imaging of electronic structure evolution from the weak-insulator through the emergence of the pseudogap to the superconducting state in Ca2-xNaxCuO2Cl2. The spectral signature of the pseudogap emerges at lowest doping from a weakly insulating but C4v-symmetric matrix exhibiting a distinct spectral shape. At slightly higher hole-density, nanoscale regions exhibiting pseudogap spectra and 180\degree-rotational (C2v) symmetry form unidirectional clusters within the C4v-symmetric matrix. Thus, hole-doping proceeds by the appearance of nanoscale clusters of localized holes within which the broken-symmetry pseudogap state is stabilized. A fundamentally two-component electronic structure11 then exists in Ca2-xNaxCuO2Cl2 until the C2v-symmetric clusters touch at higher doping, and the long-range superconductivity appears.Comment: See the Nature Physics website for the published version available at http://dx.doi.org/10.1038/Nphys232