Surface states

About: Surface states is a research topic. Over the lifetime, 11143 publications have been published within this topic receiving 307395 citations.

Electronic states of graphene nanoribbons studied with the Dirac equation

Abstract: We study the electronic states of narrow graphene ribbons (``nanoribbons'') with zigzag and armchair edges. The finite width of these systems breaks the spectrum into an infinite set of bands, which we demonstrate can be quantitatively understood using the Dirac equation with appropriate boundary conditions. For the zigzag nanoribbon we demonstrate that the boundary condition allows a particlelike and a holelike band with evanescent wave functions confined to the surfaces, which continuously turn into the well-known zero energy surface states as the width gets large. For armchair edges, we show that the boundary condition leads to admixing of valley states, and the band structure is metallic when the width of the sample in lattice constant units has the form $3M+1$, with $M$ an integer, and insulating otherwise. A comparison of the wave functions and energies from tight-binding calculations and solutions of the Dirac equations yields quantitative agreement for all but the narrowest ribbons.

Electronic properties of disordered two-dimensional carbon

Abstract: 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.

Crossover of the three-dimensional topological insulator Bi 2 Se 3 to the two-dimensional limit

Abstract: The gapless surface states of topological insulators could enable quantitatively different types of electronic device. A study of the topological insulating Bi2Se3 thin films finds that a gap in these states opens up in films below a certain thickness. This in turn suggests that in thicker films, gapless states exist on both upper and lower surfaces.

Surface States and Barrier Height of Metal‐Semiconductor Systems

Abstract: The dependence of the barrier height of metal-semiconductor systems upon the metal work function is derived based on the following assumptions: (1) the contact between the metal and the semiconductor has an interfacial layer of the order of atomic dimensions; it is further assumed that this layer is transparent to electrons with energy greater than the potential barrier but can withstand potential across it. (2) The surface state density (per unit area per electron volt) at the interface is a property only of the semiconductor surface and is independent of the metal. The barrier height φВn is defined here as the energy needed by an electron at the Fermi level in the metal to enter the conduction band of the semiconductor.

Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals

Abstract: The modification of the electronic and chemical properties of Pt(111) surfaces by subsurface 3d transition metals was studied using density-functional theory. In each case investigated, the Pt surface d-band was broadened and lowered in energy by interactions with the subsurface 3d metals, resulting in weaker dissociative adsorption energies of hydrogen and oxygen on these surfaces. The magnitude of the decrease in adsorption energy was largest for the early 3d transition metals and smallest for the late 3d transition metals. In some cases, dissociative adsorption was calculated to be endothermic. The surfaces investigated in this study had no lateral strain in them, demonstrating that strain is not a necessary factor in the modification of bimetallic surface properties. The implications of these findings are discussed in the context of catalyst design, particularly for fuel cell electrocatalysts.