Electronic correlations and crystal structure distortions in BaBiO3

BaBiO3 is a material where formally Bi4+ ions with the half-filled 6s-states form the alternating set of Bi3+ and Bi5+ ions resulting in a charge ordered insulator. The charge ordering is accompanied by the breathing distortion of the BiO6 octahedra (extension and contraction of the Bi-O bond lengths). Standard Density Functional Theory (DFT) calculations fail to obtain the crystal structure instability caused by the pure breathing distortions. Combining effects of the breathing distortions and tilting of the BiO6 octahedra allows DFT to reproduce qualitatively experimentally observed insulator with monoclinic crystal structure but gives strongly underestimate breathing distortion parameter and energy gap values. In the present work we reexamine the BaBiO3 problem within the GGA+U method using a Wannier functions basis set for the Bi 6s-band. Due to high oxidation state of bismuth in this material the Bi 6s-symmetry Wannier function is predominantly extended spatially on surrounding oxygen ions and hence differs strongly from a pure atomic 6s-orbital. That is in sharp contrast to transition metal oxides (with exclusion of high oxidation state compounds) where the major part a of d-band Wannier function is concentrated on metal ion and a pure atomic d-orbital can serve as a good approximation. The GGA+U calculation results agree well with experimental data, in particular with experimental crystal structure parameters and energy gap values. Moreover, the GGA+U method allows one to reproduce the crystal structure instability due to the pure breathing distortions without octahedra tilting

Enabling single-mode behavior over large areas with photonic Dirac cones

Many of graphene's unique electronic properties emerge from its Dirac-like electronic energy spectrum. Similarly, it is expected that a nanophotonic system featuring Dirac dispersion will open a path to a number of important research avenues. To date, however, all proposed realizations of a photonic analog of graphene lack fully omnidirectional out-of-plane light confinement, which has prevented creating truly realistic implementations of this class of systems. Here we report on a novel route to achieve all-dielectric three-dimensional photonic materials featuring Dirac-like dispersion in a quasi-two-dimensional system. We further discuss how this finding could enable a dramatic enhancement of the spontaneous emission coupling efficiency (the \beta-factor) over large areas, defying the common wisdom that the \beta-factor degrades rapidly as the size of the system increases. These results might enable general new classes of large-area ultralow-threshold lasers, single-photon sources, quantum information processing devices and energy harvesting systems

Unconventional quantum Hall effect and Berry’s phase 2pi in bilayer graphene.

There are known two distinct types of the integer quantum Hall effect. One is the conventional quantum Hall effect, characteristic of two-dimensional semiconductor systems, and the other is its relativistic counterpart recently observed in graphene, where charge carriers mimic Dirac fermions characterized by Berry’s phase pi, which results in a shifted positions of Hall plateaus. Here we report a third type of the integer quantum Hall effect. Charge carriers in bilayer graphene have a parabolic energy spectrum but are chiral and exhibit Berry’s phase 2pi affecting their quantum dynamics. The Landau quantization of these fermions results in plateaus in Hall conductivity at standard integer positions but the last (zero-level) plateau is missing. The zero-level anomaly is accompanied by metallic conductivity in the limit of low concentrations and high magnetic fields, in stark contrast to the conventional, insulating behavior in this regime. The revealed chiral fermions have no known analogues and present an intriguing case for quantum-mechanical studies

Raman imaging and electronic properties of graphene

Graphite is a well-studied material with known electronic and optical properties. Graphene, on the other hand, which is just one layer of carbon atoms arranged in a hexagonal lattice, has been studied theoretically for quite some time but has only recently become accessible for experiments. Here we demonstrate how single- and multi-layer graphene can be unambiguously identified using Raman scattering. Furthermore, we use a scanning Raman set-up to image few-layer graphene flakes of various heights. In transport experiments we measure weak localization and conductance fluctuations in a graphene flake of about 7 monolayer thickness. We obtain a phase-coherence length of about 2 $\mu$m at a temperature of 2 K. Furthermore we investigate the conductivity through single-layer graphene flakes and the tuning of electron and hole densities via a back gate

Chiral tunneling and the Klein paradox in graphene

The so-called Klein paradox - unimpeded penetration of relativistic particles through high and wide potential barriers - is one of the most exotic and counterintuitive consequences of quantum electrodynamics (QED). The phenomenon is discussed in many contexts in particle, nuclear and astro- physics but direct tests of the Klein paradox using elementary particles have so far proved impossible. Here we show that the effect can be tested in a conceptually simple condensed-matter experiment by using electrostatic barriers in single- and bi-layer graphene. Due to the chiral nature of their quasiparticles, quantum tunneling in these materials becomes highly anisotropic, qualitatively different from the case of normal, nonrelativistic electrons. Massless Dirac fermions in graphene allow a close realization of Klein's gedanken experiment whereas massive chiral fermions in bilayer graphene offer an interesting complementary system that elucidates the basic physics involved.Comment: 15 pages, 4 figure

Field-induced insulating states in a graphene superlattice

We report on high-field magnetotransport (B up to 35 T) on a gated superlattice based on single-layer graphene aligned on top of hexagonal boron nitride. The large-period moir\'e modulation (15 nm) enables us to access the Hofstadter spectrum in the vicinity of and above one flux quantum per superlattice unit cell (Phi/Phi_0 = 1 at B = 22 T). We thereby reveal, in addition to the spin-valley antiferromagnet at nu = 0, two insulating states developing in positive and negative effective magnetic fields from the main nu = 1 and nu = -2 quantum Hall states respectively. We investigate the field dependence of the energy gaps associated with these insulating states, which we quantify from the temperature-activated peak resistance. Referring to a simple model of local Landau quantization of third generation Dirac fermions arising at Phi/Phi_0 = 1, we describe the different microscopic origins of the insulating states and experimentally determine the energy-momentum dispersion of the emergent gapped Dirac quasi-particles