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. The Dirac electrons behave in unusual ways in tunneling, confinement, and the integer quantum Hall effect. The electronic properties of graphene stacks are discussed and vary with stacking order and number of layers. Edge (surface) states in graphene depend on the edge termination (zigzag or armchair) and affect the physical properties of nanoribbons. 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.

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The electronic properties of graphene

A model potential-energy function comprising both two- and three-atom contributions is proposed to describe interactions in solid and liquid forms of Si. Implications of this potential are then explored by molecular-dynamics computer simulation, using 216 atoms with periodic boundary conditions. Starting with the diamond-structure crystal at low temperature, heating causes spontaneous nucleation and melting. The resulting liquid structurally resembles the real Si melt. By carrying out steepest-descent mappings of system configurations onto potential-energy minima, two main conclusions emerge: (1) a temperature-independent inherent structure underlies the liquid phase, just as for ``simple'' liquids with only pair interactions; (2) the Lindemann melting criterion for the crystal apparently can be supplemented by a freezing criterion for the liquid, where both involve critical values of appropriately defined mean displacements from potential minima.

Computer simulation of local order in condensed phases of silicon

Recent experiments and theories have suggested that strong spin–orbit coupling effects in certain band insulators can give rise to a new phase of quantum matter, the so-called topological insulator, which can show macroscopic quantum-entanglement effects. Such systems feature two-dimensional surface states whose electrodynamic properties are described not by the conventional Maxwell equations but rather by an attached axion field, originally proposed to describe interacting quarks. It has been proposed that a topological insulator with a single Dirac cone interfaced with a superconductor can form the most elementary unit for performing fault-tolerant quantum computation. Here we present an angle-resolved photoemission spectroscopy study that reveals the first observation of such a topological state of matter featuring a single surface Dirac cone realized in the naturally occurring Bi_2Se_3 class of materials. Our results, supported by our theoretical calculations, demonstrate that undoped Bi_2Se_3 can serve as the parent matrix compound for the long-sought topological device where in-plane carrier transport would have a purely quantum topological origin. Our study further suggests that the undoped compound reached via n-to-p doping should show topological transport phenomena even at room temperature.

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Observation of a large-gap topological-insulator class with a single Dirac cone on the surface

Two-dimensional carbon, or graphene, is a semimetal that presents unusual low-energy electronic excitations described in terms of Dirac fermions. We analyze in a self-consistent way the effects of localized (impurities or vacancies) and extended (edges or grain boundaries) defects on the electronic and transport properties of graphene. On the one hand, point defects induce a finite elastic lifetime at low energies with the enhancement of the electronic density of states close to the Fermi level. Localized disorder leads to a universal, disorder independent, electrical conductivity at low temperatures, of the order of the quantum of conductance. The static conductivity increases with temperature and shows oscillations in the presence of a magnetic field. The graphene magnetic susceptibility is temperature dependent (unlike an ordinary metal) and also increases with the amount of defects. Optical transport properties are also calculated in detail. On the other hand, extended defects induce localized states near the Fermi level. In the absence of electron-hole symmetry, these states lead to a transfer of charge between the defects and the bulk, the phenomenon we call self-doping. The role of electron-electron interactions in controlling self-doping is also analyzed. We also discuss the integer and fractional quantum Hall effect in graphene, the role played by the edge states induced by a magnetic field, and their relation to the almost field independent surface states induced at boundaries. The possibility of magnetism in graphene, in the presence of short-range electron-electron interactions and disorder is also analyzed.

https://repositorium.sdum.uminho.pt/bitstream/1822/5177/1/0512091.pdf

Electronic properties of disordered two-dimensional carbon

Monolayers of transition metal dichalcogenides have emerged as interesting two-dimensional materials. Here, the authors show that in a new member of this family of compounds, rhenium disulphide, the layers in the bulk are vibrationally and electronically decoupled, so that they behave almost as monolayers.

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I.L. Spain

Papers

High pressure phase transitions in tetrahedrally coordinated semiconducting compounds

Electronic properties of Bi2Se3 crystals

Electronic energy band parameters of graphite and their dependence on pressure, temperature and acceptor concentration

High pressure investigations of MoS2

Semiconductor-to-metal transition in GaP under high pressure