Edge states, spin transport, and impurity-induced local density of states in spin-orbit coupled graphene

We study graphene, which has both spin-orbit coupling (SOC), taken to be of the Kane-Mele form, and a Zeeman field induced due to proximity to a ferromagnetic material. We show that a zigzag interface of graphene having SOC with its pristine counterpart hosts robust chiral edge modes in spite of the gapless nature of the pristine graphene; such modes do not occur for armchair interfaces. Next we study the change in the local density of states (LDOS) due to the presence of an impurity in graphene with SOC and Zeeman field, and demonstrate that the Fourier transform of the LDOS close to the Dirac points can act as a measure of the strength of the spin-orbit coupling; in addition, for a specific distribution of impurity atoms, the LDOS is controlled by a destructive interference effect of graphene electrons which is a direct consequence of their Dirac nature. Finally, we study transport across junctions, which separates spin-orbit coupled graphene with Kane-Mele and Rashba terms from pristine graphene both in the presence and absence of a Zeeman field. We demonstrate that such junctions are generally spin active, namely, they can rotate the spin so that an incident electron that is spin polarized along some direction has a finite probability of being transmitted with the opposite spin. This leads to a finite, electrically controllable, spin current in such graphene junctions. We discuss possible experiments that can probe our theoretical predictions.

Density functional theory based study of chlorine doped WS2-metal interface

Investigation of a transition metal dichalcogenide (TMD)-metal interface is essential for the effective functioning of monolayer TMD based field effect transistors. In this work, we employ the Density Functional Theory calculations to analyze the modulation of the electronic structure of monolayer WS2 with chlorine doping and the relative changes in the contact properties when interfaced with gold and palladium. We initially examine the atomic and electronic structures of pure and doped monolayer WS2 supercell and explore the formation of midgap states with band splitting near the conduction band edge. Further, we analyze the contact nature of the pure supercell with Au and Pd. We find that while Au is physiosorbed and forms n-type contact, Pd is chemisorped and forms p-type contact with a higher valence electron density. Next, we study the interface formed between the Cl-doped supercell and metals and observe a reduction in the Schottky barrier height (SBH) in comparison to the pure supercell. This reduction found is higher for Pd in comparison to Au, which is further validated by examining the charge transfer occurring at the interface. Our study confirms that Cl doping is an efficient mechanism to reduce the n-SBH for both Au and Pd, which form different types of contact with WS2. (C) 2016 AIP Publishing LLC.

A quase conversação na comentosfera dos j-blogs: um estudo das interações na interface de comentários de quatro blogs jornalísticos institucionais

Este trabalho se situa na fronteira entre as áreas de Comunicação Social e Linguística e é voltado à investigação das interações ocorridas nos espaços dedicados à publicação de comentários de leitores em quatro blogs jornalísticos institucionais: Blog do Noblat, Blog MiriamLeitão.com, Blog do Reinaldo Azevedo e Blog do Josias de Souza. Com ele, pretende-se definir como cada leitor utiliza seus comentários para se relacionar com o jornalista autor do blog (o blogueiro), com outros leitores que também publicam suas opiniões (os leitores-comentaristas) e com o tópico tratado no texto (postagem) escrito pelo blogueiro. Além disso, considerando que autores da área de Comunicação Social discutem os blogs como um dispositivo amplamente conversacional, o propósito desta pesquisa é também esclarecer, à luz dos princípios da Análise da Conversação, se efetivamente ocorre uma conversação entre os participantes no ambiente de troca de mensagens dos blogs. Para a realização do estudo, foi compilado um corpus de 400 comentários cujo conteúdo demonstra a visão crítica de leitores dos blogs acima citados acerca de um mesmo tema: o apagão ocorrido em 10 de novembro de 2009 em 18 estados brasileiros. Tais mensagens foram trabalhadas a partir de um método predominantemente qualitativo e interpretativo, sendo que uma abordagem quantitativa também foi considerada para permitir uma visão mais abrangente e comparativa dos dados. Na ausência de um referencial teórico da Linguística que abrangesse os fenômenos interacionais percebidos nos comentários dos blogs, optou-se por desenvolver uma proposta de análise de base empírica, que norteou todo o desenvolvimento do trabalho. Entre as conclusões preliminares da pesquisa, pode-se dizer que, ao mesmo tempo em que os blogs inauguraram uma nova forma de relacionamento entre o jornalista e sua audiência, há indícios de grande parte dos leitores utilizem os blogs como um espaço restrito à publicação de opiniões isoladas, em vez de enxergá-lo como um ambiente com amplas possibilidades interativas, e, consequentemente, propício à discussão

Metallic thin fi lms on stepped surfaces: lateral scattering of quantum well states

Quantum well states of Ag films grown on stepped Au(111) surfaces are shown to undergo lateral scattering, in analogy with surface states of vicinal Ag(111). Applying angle resolved photoemission spectroscopy we observe quantum well bands with zone-folding and gap openings driven by surface/interface step lattice scattering. Experiments performed on a curved Au(111) substrate allow us to determine a subtle terrace-size effect, i.e., a fine step-density-dependent upward shift of quantum well bands. This energy shift is explained as mainly due to the periodically stepped crystal potential offset at the interface side of the film. Finally, the surface state of the stepped Ag film is analyzed with both photoemission and scanning tunneling microscopy. We observe that the stepped film interface also affects the surface state energy, which exhibits a larger terrace-size effect compared to surface states of bulk vicinal Ag(111) crystals

A chemically inert Rashba split interface electronic structure of C-60, FeOEP and PTCDA on BiAg2/Ag(111) substrates

The fields of organic electronics and spintronics have the potential to revolutionize the electronics industry. Finding the right materials that can retain their electrical and spin properties when combined is a technological and fundamental challenge. We carry out the study of three archetypal organic molecules in intimate contact with the BiAg2 surface alloy. We show that the BiAg2 alloy is an especially suited substrate due to its inertness as support for molecular films, exhibiting an almost complete absence of substrate-molecular interactions. This is inferred from the persistence of a completely unaltered giant spin-orbit split surface state of the BiAg2 substrate, and from the absence of significant metallic screening of charged molecular levels in the organic layer. Spin-orbit split states in BiAg2 turn out to be far more robust to organic overlayers than previously thought.

Theoretical analysis of gate voltage-controlled subband states in an AlxGa1-xN/GaN heterostructure

The subband structure and inter-subband transition as a function of gate voltage are determined by solving the Schrodinger and Poisson equations self-consistently in an AlxGa1-xN/GaN heterostructure. Different aluminum mole fraction and thickness of AlxGa1-xN barrier are considered. Calculation results show that energy difference between the first and second subband covers a wide range (from several tens to hundreds milli-electron volt) by applying different gate voltage, which corresponds to the midinfrared and long-wave infrared wavelength scope. Furthermore, such a modulation on the subband transition energy is much more pronounced for the structure with thin barrier. When the applied positive gate voltage is increased, the triangle well formed at the interface turns to be deeper and narrower, which enhances the confinement for electrons. As a result, the overlap between electron wave function at two subbands increases, and thus the optical intersubband transition also enhances its intensity. This tendency is in good agreement with the available data in the literature. (c) 2005 Elsevier B.V. All rights reserved.

Interface-related in-plane optical anisotropy of quantum wells studied by reflectance-difference spectroscopy

The in-plane optical anisotropy of three groups of GaAs/AlGaAs quantum well structures has been studied by reflectance-difference spectroscopy (RDS). For GaAs/Al0.36Ga0.64As single QW structures, it is found that the optical anisotropy increases quickly as the well width is decreased. For an Al0.02Ga0.98As/AlAs multiple QW with a well width of 20nm, the optical anisotropy is observed not only for the transitions between ground states but also for those between the excited states with transition index n up to 5. An increase of the anisotropy with the transition energy, or equivalently the transition index n, is clearly observed. The detailed analysis shows that the observed anisotropy arises from the interface asymmetry of QWs, which is introduced by atomic segregation or anisotropic interface roughness formed during the growth of the structures. More, when the 1 ML InAs is inserted at one interface of GaAs/AlGaAs QW, the optical anisotropy of the QW can be increased by a factor of 8 due to the enhanced asymmetry of the QW. These results demonstrate clearly that the RDS is a sensitive and powerful tool for the characterization of semiconductor interfaces.

SiO2/Ta interface reaction in magnetic multilayers and its influence on Ta buffer layers

Ta is often used as a buffer layer in magnetic multilayers. In this study, Ta/Ni81Fe19/Ta multilayers were deposited by magnetron sputtering on sing-crystal Si with a 300-nm-thick SiO2 film. The composition and chemical states at the interface region of SiO2/Ta were studied using the X-ray photoelectron spectroscopy (XPS) and peak decomposition technique. The results show that there is an 'inter-mixing layer" at the SiO2/Ta interface due to a thermodynamically favorable reaction: 15 SiO2 + 37 Ta = 6 Ta2O5 + 5 Ta5Si3. Therefore, the Ta buffer layer thickness used to induce NiFe (111) texture increases.

Determination of oxidation states in magnetic multilayers

X-ray photoelectron spectroscopy has been used to characterize the oxidation states in Ta/NiOx/Ni-81/Fe-19/Ta magnetic multilayers prepared by rf reaction and dc magnetron sputtering. The exchange coupling field and the coercivity of NiOx/Ni81Fe19 are studied as a function of the ratio of Ar to O-2 during the deposition process. The chemical states of Ni atoms in the interface region of NiOx/NiFe have also been investigated by x-ray photoelectron spectroscopy and the peak decomposition technique. The results show that the ratio of Ar to O-2 has a great effect on the chemical states of nickel in NiOx films. Thus the exchange coupling field and the coercivity of Ta/NiOx/Ni81Fe19/Ta are seriously affected. Also, the experiment shows that x-ray photoelectron spectroscopy is a powerful tool in characterizing magnetic multilayers.

Magnetic property and interface structure of Ta/NiO/NiFe/Ta

Ta/NiO/NiFe/Ta multilayers, utilizing Ta as buffer layer, were prepared by rf reactive and de magnetron sputtering. The exchange coupling field between NiO and NiFe reached a maximum value of 9.6x10(3) A/m at a NiO film thickness of 50 nm. The composition and chemical states at interface region of Ta/NiO/Ta were studied by using the X-ray photoelectron spectroscopy (XPS) and peak decomposition technique. The results show that there is an "intermixing layer" at the Ta/NiO land NiO/Ta) interface due to a thermodynamically favorable reaction 2Ta + 5NiO = 5Ni + Ta2O5. This interface reaction has a great effect on exchange coupling. The thickness of Ni+NiO estimated by XPS depth. profiles is about 8-10 nm.

Determination of the values of hole-mixing coefficients due to interface and electric field in GaAs/AlxGa1-xAs superlattices

Numerical calculations within the envelope function framework have been performed to analyze the relations between the magnitude of in-plane optical anisotropy and the values of the additional hole-mixing coefficients due to interface and electric field in (001) symmetric GaAs/AlxGa1-xAs superlattices for light propagating along the [001] direction. It is found that the heavy- and light-hole states are mixed independently by interface and electric field. The numeric results demonstrate that the line shape of the in-plane anisotropic spectrum is determined by the ratio of the two hole-mixing coefficients. Theoretical analysis shows that with the help of simple calculation of the anisotropy at k=0, reliable values of the hole-mixing coefficients can be determined by reflectance-difference spectroscopy (IDS) technique, demanding no tedious fitting of experimental curves. The in-plane optical anisotropy measured by RDS provides a new method of getting the information on buried interfaces through the Value of the hole-mixing coefficient due to interface.

ELECTRON-STATES OF A STACKING-FAULT RIBBON IN SILICON

The electronic structure of a bounded intrinsic stacking fault in silicon is calculated. The method used is an LCAO-scheme (Linear Combinations of Atomic Orbitals) taking ten atomic orbitals of s-, p-, and d-type into account. The levels in the band gap are extracted using Lanczos' algorithm and a continued fraction representation of the local density of states. We find occupied states located up to 0.3 eV above the valence band maximum (E(v)). This significantly differs from the result obtained for the ideal infinite fault for which the interface state is located at E(v)+ 0.1 eV.

Optical study of localized and delocalized states in GaAsN/GaAs

Taking advantages of short pulse excitation and time-resolved photoluminescence (PL), we have studied the exciton localization effect in a number of GaAsN alloys and GaAsN/GaAs quantum wells (QWs). In the PL spectra, an extra transition located at the higher energy side of the commonly reported N-related emissions is observed. By measuring PL dependence on temperature and excitation power along with PL dynamics study, the new PL peak has been identified as a transition of the band edge-related recombination in dilute GaAsN alloy and delocalized transition in QWs. Using selective excitation PL we further attribute the localized emission in QWs to the excitons localized at the GaAsN/GaAs interfaces. This interface-related exciton localization could be greatly reduced by a rapid thermal annealing.

Downhill kinetics of biomolecular interface binding: Globally connected scenario

We study the kinetics of the biomolecular binding process at the interface using energy landscape theory. The global kinetic connectivity case is considered for a downhill funneled energy landscape. By solving the kinetic master equation, the kinetic time for binding is obtained and shown to have a U-shape curve-dependence on the temperature. The kinetic minimum of the binding time monotonically decreases when the ratio of the underlying energy gap between native state and average non-native states versus the roughness or the fluctuations of the landscape increases. At intermediate temperatures,fluctuations measured by the higher moments of the binding time lead to non-Poissonian, non-exponential kinetics. At both high and very low temperatures, the kinetics is nearly Poissonian and exponential.