Imaging chiral symmetry breaking from Kekulé bond order in graphene

This article reviews the basic theoretical aspects of graphene, a one atom thick allotrope of carbon, with unusual two-dimensional Dirac-like electronic excitations. The Dirac electrons can be controlled by application of external electric and magnetic fields, or by altering sample geometry and/or topology. We show that the Dirac electrons behave in unusual ways in tunneling, confinement, and integer quantum Hall effect. We discuss the electronic properties of graphene stacks and show that they vary with stacking order and number of layers. Edge (surface) states in graphene are strongly dependent on the edge termination (zigzag or armchair) and affect the physical properties of nanoribbons. We also discuss how different types of disorder modify the Dirac equation leading to unusual spectroscopic and transport properties. The effects of electron-electron and electron-phonon interactions in single layer and multilayer graphene are also presented.

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). Quantum ESPRESSO stands for "opEn Source Package for Research in Electronic Structure, Simulation, and Optimization". It is freely available to researchers around the world under the terms of the GNU General Public License. Quantum ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively-parallel architectures, and a great effort being devoted to user friendliness. Quantum ESPRESSO is evolving towards a distribution of independent and inter-operable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.

Graphene devices on standard SiO2 substrates are highly disordered, exhibiting characteristics far inferior to the expected intrinsic properties of graphene[1-12]. While suspending graphene above the substrate yields substantial improvement in device quality[13,14], this geometry imposes severe limitations on device architecture and functionality. Realization of suspended-like sample quality in a substrate supported geometry is essential to the future progress of graphene technology. In this Letter, we report the fabrication and characterization of high quality exfoliated mono- and bilayer graphene (MLG and BLG) devices on single crystal hexagonal boron nitride (h-BN) substrates, by a mechanical transfer process. Variable-temperature magnetotransport measurements demonstrate that graphene devices on h-BN exhibit enhanced mobility, reduced carrier inhomogeneity, and reduced intrinsic doping in comparison with SiO2-supported devices. The ability to assemble crystalline layered materials in a controlled way sets the stage for new advancements in graphene electronics and enables realization of more complex graphene heterostructres.