Spiky density of states in large complex Al-Mn phases

First-principle electronic structure calculations have been performed in crystalline complex phases mu-Al4Mn and lambda-Al4Mn using the TB-LMTO method. These atomic structures, related to quasicrystalline structures, contain about 560 atoms in a large hexagonal unit cell. One of the main characteristic of their density of states is the presence of fine peaks the so-called "spiky structure". From multiple-scattering calculations in real space, we show that these fine peaks are not artifacts in ab-initio calculations, since they result from a specific localization of electrons by atomic clusters of different length scales

Numerical studies of confined states in rotated bilayers of graphene

Rotated graphene multilayers form a new class of graphene related systems with electronic properties that drastically depend on the rotation angles. It has been shown that bilayers behave like two isolated graphene planes for large rotation angles. For smaller angles, states in the Dirac cones belonging to the two layers interact resulting in the appearance of two van Hove singularities. States become localised as the rotation angle decreases and the two van Hove singularities merge into one peak at the Dirac energy. Here we go further and consider bilayers with very small rotation angles. In this case, well defined regions of AA stacking exist in the bilayer supercell and we show that states are confined in these regions for energies in the [-\gamma_t, +\gamma_t] range with \gamma_t the interplane mean interaction. As a consequence, the local densities of states show discrete peaks for energies different from the Dirac energy.Comment: 8 page

Electronic transport in AlMn(Si) and AlCuFe quasicrystals: Break-down of the semiclassical model

The semi-classical Bloch-Boltzmann theory is at the heart of our understanding of conduction in solids, ranging from metals to semi-conductors. Physical systems that are beyond the range of applicability of this theory are thus of fundamental interest. It appears that in quasicrystals and related complex metallic alloys, a new type of break-down of this theory operates. This phenomenon is related to the specific propagation of electrons. We develop a theory of quantum transport that applies to a normal ballistic law but also to these specific diffusion laws. As we show phenomenological models based on this theory describe correctly the anomalous conductivity in quasicrystals. Ab-initio calculations performed on approximants confirm also the validity of this anomalous quantum diffusion scheme. This provides us with an ab-initio model of transport in approximants such as alpha-AlMnSi and AlCuFe 1/1 cubic approximant.Comment: 11 pages, 5 figure

Electronic transport properties of quasicrystals: a Review

We present a review of some results concerning electronic transport properties of quasicrystals. After a short introduction to the basic concepts of quasiperiodicity, we consider the experimental transport properties of electrical conductivity with particular focus on the effect of temperature, magnetic field and defects. Then, we present some heuristic approaches that tend to give a coherent view of different, and to some extent complementary, transport mechanisms in quasicrystals. Numerical results are also presented and in particular the evaluation of the linear response Kubo-Greenwood formula of conductivity in quasiperiodic systems in presence of disorder.Comment: Latex, 28 pages, Journ. of Math. Phys., Vol38 April 199

Unraveling the intrinsic and robust nature of van hove singularities in twisted bilayer graphene by scanning tunneling microscopy and theoretical analysis

Extensive scanning tunneling microscopy and spectroscopy experiments complemented by first-principles and parametrized tight binding calculations provide a clear answer to the existence, origin, and robustness of vanHove singularities (vHs) in twisted graphene layers. Our results are conclusive: vHs due to interlayer coupling are ubiquitously present in a broad range (from 1º to 10º) of rotation angles in our graphene on 6H-SiC(000-1) samples. From the variation of the energy separation of the vHs with the rotation angle we are able to recover the Fermi velocity of a graphene monolayer as well as the strength of the interlayer interaction. The robustness of the vHs is assessed both by experiments, which show that they survive in the presence of a third graphene layer, and by calculations, which test the role of the periodic modulation and absolute value of the interlayer distance. Finally, we clarify the role of the layer topographic corrugation and of electronic effects in the apparent moiré contrast measured on the STM imagesThis work was supported by Spain’s MICINN under Grants No. MAT2010-14902, No. CSD2010-00024, and No. CSD2007-00050, and by Comunidad de Madrid under Grant No. S2009/MAT-1467. M. M. U., I. B., P. M, J.-Y.V., L. M., and J. M. G.-R. also acknowledge the PHC Picasso program for financial support (Project No. 22885NH). I. B. was supported by a Ramón y Cajal project of the Spanish MEC. L. M., P. M., and J.-Y.V. acknowledge support from Fondation Nanosciences (Dispograph project

Hybridization Mechanism for Cohesion of Cd-based Quasicrystals

Cohesion mechanism of cubic approximant crystals of newly discovered binary quasicrystals, Cd$_6$M (M=Yb and Ca), are studied theoretically. It is found that stabilization due to alloying is obtained if M is an element with low-lying unoccupied $d$ states. This leads to conclusion that the cohesion of the Cd-based compounds is due to the hybridization of the $d$ states of Yb and Ca with a wide $sp$ band. %unlike known stable quasicrystals without transition elements %such as Al-Li-Cu and Zn-Mg-RE (RE:rare earth). Although a diameter of the Fermi sphere coincides with the strong Bragg peaks for Cd-Yb and Cd-Ca, the Hume-Rothery mechanism does not play a principal role in the stability because neither distinct pseudogap nor stabilization due to alloying is obtained for isostructural Cd-Mg. In addition to the electronic origin, matching of the atomic size is very crucial for the quasicrystal formation of the Cd-based compounds. It is suggested that the glue atoms, which do not participate in the icosahedral cluster, play an important role in stabilization of the compound.Comment: 4 pages, 2 figure

Imaging Electronic Correlations in Twisted Bilayer Graphene near the Magic Angle

Twisted bilayer graphene with a twist angle of around 1.1{\deg} features a pair of isolated flat electronic bands and forms a strongly correlated electronic platform. Here, we use scanning tunneling microscopy to probe local properties of highly tunable twisted bilayer graphene devices and show that the flat bands strongly deform when aligned with the Fermi level. At half filling of the bands, we observe the development of gaps originating from correlated insulating states. Near charge neutrality, we find a previously unidentified correlated regime featuring a substantially enhanced flat band splitting that we describe within a microscopic model predicting a strong tendency towards nematic ordering. Our results provide insights into symmetry breaking correlation effects and highlight the importance of electronic interactions for all filling factors in twisted bilayer graphene.Comment: Main text 9 pages, 4 figures; Supplementary Information 25 page