Intrinsic spin Hall effect in the two-dimensional hole gas

We show that two types of spin-orbit coupling in the 2 dimensional hole gas, with and without inversion symmetry breaking, contribute to the intrinsic spin-Hall effect. Furthermore, the vertex correction due to impurity scattering vanishes in both cases, in sharp contrast to the case of usual Rashba coupling in the electron band. Recently, the spin-Hall effect in a hole doped GaAs semiconductor has been observed experimentally by Wunderlich et al. [ Phys. Rev. Lett. 94, 047204 (2005).]. From the fact that the lifetime broadening is smaller than the spin splitting, and the fact impurity vertex corrections vanish in this system, we argue that the observed spin-Hall effect should be in the intrinsic regime.     

Dissipationless spin-Hall current contribution in the extrinsic spin-Hall effect

This paper shows that a substantial amount of dissipationless spin-Hall current contribution may exist in the extrinsic spin-Hall effect, which originates from the spin-orbit coupling induced by the applied external electric field itself that drives the extrinsic spin-Hall effect in a nonmagnetic semiconductor (or metal). By assuming that the impurity density is in a moderate range such that the total scattering potential due to all randomly distributed impurities is a smooth function of the space coordinate, it is shown that this dissipationless contribution shall be of the same orders of magnitude as the usual extrinsic contribution from spin-orbit dependent impurity scatterings (or may even be larger than the latter one). The theoretical results obtained are in good agreement with recent relevant experimental results.     

Three-dimensional Monte Carlo simulation of bulk fin field effect transistor

In this paper,we investigate the performance of the bulk fin field effect transistor(FinFET) through a threedimensional(3D) full band Monte Carlo simulator with quantum correction.Several scattering mechanisms,such as the acoustic and optical phonon scattering,the ionized impurity scattering,the impact ionization scattering and the surface roughness scattering are considered in our simulator.The effects of the substrate bias and the surface roughness scattering near the Si/SiO2 interface on the performance of bulk FinFET are mainly discussed in our work.Our results show that the on-current of bulk FinFET is sensitive to the surface roughness and that we can reduce the substrate leakage current by modulating the substrate bias voltage.     

Correlation effects in quantum spin-Hall insulators: a quantum Monte Carlo study

We consider the Kane-Mele model supplemented by a Hubbard U term. The phase diagram is mapped out using projective auxiliary field quantum Monte Carlo simulations. The quantum spin liquid of the Hubbard model is robust against weak spin-orbit interaction, and is not adiabatically connected to the spin-Hall insulating state. Beyond a critical value of U>U(c) both states are unstable toward magnetic ordering. In the quantum spin-Hall state we study the spin, charge, and single-particle dynamics of the helical Luttinger liquid by retaining the Hubbard interaction only on a ribbon edge. The Hubbard interaction greatly suppresses charge currents along the edge and promotes edge magnetism but leaves the single-particle signatures of the helical liquid intact.     

Phase diagram of the spin Hall effect

We obtain analytic formulas for the frequency-dependent spin-Hall conductivity of a two-dimensional electron gas (2DEG) in the presence of impurities, linear spin-orbit Rashba interaction, and external magnetic field perpendicular to the 2DEG. We show how different mechanisms (skew scattering, side jump, and spin precession) can be brought in or out of focus by changing controllable parameters such as frequency, magnetic field, and temperature. We find, in particular, that the dc spin-Hall conductivity vanishes in the absence of a magnetic field, while a magnetic field restores the skew-scattering and side jump contributions proportionally to the ratio of magnetic and Rashba fields.     

Spin-Hall effect in a [110] GaAs quantum well

A self-consistent treatment of the spin-Hall effect requires consideration of the spin-orbit coupling and electron-impurity scattering on equal footing. This is done here for the experimentally relevant case of a [110] GaAs quantum well [Sih, Nature Phys. 1, 31 (2005)]. Working within the framework of the exact linear response formalism we calculate the spin-Hall conductivity including the Dresselhaus linear and cubic terms in the band structure, as well as the electron-impurity scattering and electron-electron interaction to all orders. We show that the spin-Hall conductivity naturally separates into two contributions, skew-scattering and side-jump, and we propose an experiment to distinguish between them.     

Simple method to prepare size‐controllable gold nanoparticles in solutions and their applications on surface‐enhanced Raman scattering

We report here, for the first time, a simple method to prepare size‐controllable Au nanoparticles (NPs) in aqueous solutions from bulk Au substrates. First, chitosan (Ch)‐capped Au‐containing complexes were prepared by electrochemical oxidation–reduction cycles in 0.1 N NaCl and 1 g/l Ch solutions. Then the solutions were heated from room temperature to boiling at different heating rates to synthesize size‐controllable Au NPs. The particle sizes of the prepared Au(111) NPs could be controlled from 5 to 30 nm with an increase of the heating rate during preparation. Experimental results indicate that the prepared Au(111) NPs with diameters ranging from 10 to 30 nm can serve as surface‐enhanced Raman scattering active probes for molecules of rhodamine 6G. Copyright © 2010 John Wiley & Sons, Ltd.     

Absolute composition depth-profiles in surface segregation of PtRh alloys

The absolute composition depth profiles of the first 12 atomic layers of the (001) surface and the first 9 layers of the (111) surface of a PtRh alloy have been measured. As found in earlier studies, the surface is enriched with Pt, the sub-surface layer is depleted of Pt, and the Pt concentration oscillates toward the bulk value. The detailed oscillations are, however, very different for the two surfaces. Using a simple model for the metallic bonds, Monte Carlo simulations are performed to extract a set of bond energy differences of the constituent atom pairs from the experimental data.     

Spin-resolved photoemission from epitaxial Au layers on Pt(111): Coverage dependence of the bandstructure and evidence of surface resonances

Au/Pt(111) has been studied by spin-, angle- and energy-resolved photoemission with normal incident circularly polarized synchrotron radiation of BESSY and normal photoelectron emission for different Au coverages. The prepared layers were characterized by LEED and Augerelectron spectroscopy and turned out to grow up two dimensional and epitaxially. In the photoemission experiments the development of the 3-dimensional bandstructure in the -direction could be observed. For a coverage of 2.6 layers the highest occupied spin-orbit split bands are located at about 0.6 eV lower binding energy than the corresponding bands for a 3D-Au crystal and show dispersion which is, however, weaker than in a 3D-Au crystal. A 5 layer Au adsorbate was found to have already the same dispersion and energetic location as a Au(111)-crystal. For thick gold layers, which behave in photoemission like Au(111)-crystals, we find structures that cannot be due to direct transitions into a free electron like final band. The coverage dependence and spin polarization of these structures show that some of them are due to surface resonances, while the origin of one strong peak could not yet be explained conclusively. In addition we find strong hybridization and two avoided crossings in the occupied part of the bandstructure.     

掺铌SrTiO_3中的逆自旋霍尔效应

采用磁控溅射法在未掺杂和掺杂的SrTiO_3基片上沉积了NiFe薄膜,通过翻转测试法分离出掺杂样品中的自旋整流电压和逆自旋霍尔电压.研究结果表明:在未掺杂的SrTiO_3基片中,翻转前后测试的电压曲线基本一致,为NiFe薄膜自旋整流效应产生的电压.对于掺Nb浓度x为0.028, 0.05, 0.1, 0.15, 0.2的SrTiO_3基片,分离出的逆自旋霍尔电压随掺杂浓度增加而减小,在掺杂浓度为0.15和0.2的样品中没有探测到明显的逆自旋霍尔电压.本文的结果表明,在SrTiO_3中掺入强自旋轨道耦合的杂质,通过掺杂浓度可以实现对SrTiO_3中逆自旋霍尔效应的调控,这类可调控的自旋相关研究为自旋电子器件的研究和开发提供了更多的可能性,具有很大的潜在应用价值.     

Backscattering correction for quantitative Auger analysis: II. Verifications of the backscattering factors through quantification by AES

The validity and utility of the backscattering correction factors obtained from Monte Carlo calculations for quantitative analysis by Auger electron spectroscopy (AES) were examined through practical quantification of surface concentrations of binary alloys. Quantifications were attempted, first, to access the surface composition of a sputter-deposited NiPt layer, which is probably the most appropriate test-sample with known surface composition for surface analysis. The quantification by AES has led to the result that the surface composition of the layer agrees well with the bulk composition of the sputtered NiPt alloy, as expected. The composition of a sputtered AuCu alloy surface was, then, examined according to the same correction procedure as for the NiPt layer, leading to the confirmation that no preferential sputtering is observed for AuCu alloys by AES as Färber et al. reported.     

Etchant anisotropy controls the step bunching instability in KOH etching of silicon

STM investigations of vicinal Si(111) surfaces etched in KOH solutions under controlled flow conditions show that step bunching instability is due to inhomogeneities that develop in the etchant as the result of highly step-site-specific etching reactions. Other previously postulated mechanisms for step bunching, including anisotropic surface diffusion, surface strain, and impurity deposition, are conclusively ruled out. The inhomogeneities locally accelerate etching near surface steps. Kinetic Monte Carlo simulations of this process qualitatively reproduce the observed morphologies.     

Quantification of surface effects: Monte Carlo simulation of REELS spectra to obtain surface excitation parameter

The surface excitation effect is investigated by using the quantum mechanical frame work of complex self-energy of electrons which interact with a bounded semi-infinite medium. In the self-energy formalism, differential inverse inelastic mean free path (DIIMFP) has contributions from bulk and surface plasmons. Monte Carlo simulation of the interaction of electrons with a solid medium and surface has been performed. The surface excitation parameter (SEP) is then obtained from the simulated reflection electron energy loss spectroscopy (REELS) spectra. The calculated SEP results by Monte Carlo simulation are compared with the previous calculations of total surface excitation probability, which was estimated by a numerical integration of surface term of DIIMFP. The contribution merely due to surface excitations towards REELS spectra is extracted by subtracting the two Monte Carlo simulated REELS spectra that based on the two models of electron inelastic scattering, i.e. a full surface model (SM) and a pure bulk model (BM). The surface excitations found to be significant at low energy losses and diminish at higher energy losses whereas the bulk plasmon contributions show opposite behavior and are negligible at lower energy losses. The average number of surface excitations is then evaluated by the computation of ratio of the integrated surface contribution to the elastic peak. The calculated results for Ag are found to be reasonably in agreement with our previous results for total probability of surface excitations and other reported experimental data for SEP. Surface correction factor (SCF) is calculated using SEP for several metals and is compared with the reported ratio of SCF with Ni sample as reference.     

Effect of spin-orbit scattering on the magnetic and superconducting properties of nearly ferromagnetic metals: application to granular Pt

We calculate the effect of scattering on the static, exchange enhanced, spin susceptibility and show that, in particular, spin-orbit scattering leads to a reduction of the giant moments and spin glass freezing temperature due to dilute magnetic impurities. The harmful spin fluctuation contribution to the intragrain pairing interaction is strongly reduced opening the way for BCS superconductivity. We are thus able to explain the superconducting and magnetic properties recently observed in granular Pt as being due to scattering effects in single small grains.     

Universal quantized spin-Hall conductance fluctuation in graphene

We report theoretical investigations of the quantized spin-Hall conductance fluctuation of graphene in the presence of disorder. Two graphene models that exhibit the quantized spin-Hall effect (QSHE) are analyzed. Model I is with unitary symmetry under an external magnetic field B not = 0 but with a zero spin-orbit interaction, t(SO)=0. Model II is with symplectic symmetry where B=0 but t(SO) not = 0. The two models give exactly the same universal QSHE conductance fluctuation value 0.285+/-0.005e/4pi regardless of symmetry. We also examined a third model that exhibits QSHE but with quadratic dispersion and obtained the same results. Finally, all three models of QSHE have a one-sided log-normal distribution for spin-Hall conductance. Our results strongly suggest that the quantized spin-Hall conductance fluctuation belongs to a new universality class.     

Temperature dependence of Pt(111) surface relaxation

A careful investigation of the Pt(111) surface has been carried out, using the MeV heliumscattering technique. The anomalously large surface relaxation effect reported previously has been identified as an experimental artifact resulting from an unexpectedly large surface damage effect at low temperature. Optimum conditions have been established for minimizing the main experimental sources of error: background subtraction, radiation damage, and deviations from the Rutherford scattering law. Using these optimum conditions, a series of scattering measurements has been made over the temperature range 40–300 K. At all temperatures, we observe a significant anisotropy in the 〈111〉 angular scans, indicating an outward relaxation of the Pt(111) surface plane. By comparing this observed anisotropy with a set of Monte Carlo simulations, a value of 0.03 ? 0.01 Å (i.e. 1.3 ? 0.4%) is obtained for the surface relaxation. The temperature dependence of the surface peak also indicates that the enhanced vibrational amplitude of the surface atoms is not nearly as large as had been derived previously from high-temperature LEED studies.     

Surface diffusion of Cr adatoms on Au(111) by quantum tunneling

The low-temperature surface diffusion of isolated Cr adatoms on Au(111) has been determined using nonperturbing x rays. Changes in the x-ray magnetic circular dichroism spectral line shape together with Monte Carlo calculations demonstrate that adatom nucleation proceeds via quantum tunneling diffusion rather than over-barrier hopping for temperatures <40K. The jump rates are shown to be as much as 35 orders of magnitude higher than that expected for thermal over-barrier hopping at 10 K.     

替位杂质对低能Pt原子与Pt(111)表面相互作用影响的分子动力学模拟

采用嵌入原子方法的原子间相互作用势，通过分子动力学方法模拟了低能Pt原子与Cu，Ag，Au，Ni，Pd替位掺杂Pt(111)表面的相互作用过程，系统研究了替位原子对表面吸附原子产额、溅射产额和空位缺陷产额的影响规律，分析了低能沉积过程中沉积原子与基体表面的相互作用机理以及替位原子的作用及其影响规律.研究结果显示：替位原子的存在不仅影响着沉积能量较低时的表面吸附原子的产额与空间分布，而且对沉积能量较高时的低能表面溅射过程和基体表面空位的形成产生重要影响.替位原子导致的表面吸附原子产额、表面原子溅射以及空位形 关键词： 分子动力学 低能粒子 替位掺杂 表面原子产额 溅射 空位     

Mechanism of associative oxygen desorption from Pt(111) surface

Mechanism of the associative desorption of oxygen from the Pt(111) surface has been studied on atomic level by means of DFT/GGA calculations and kinetic Monte Carlo simulations. It has been found that two oxygen adatoms can occur, with sufficient probability, in neighboring on-top sites, which is essential for formation and subsequent evaporation of the oxygen molecule. Monte Carlo simulations have demonstrated effectiveness of this channel for O₂ formation on Pt(111) and strongly support the suggested model of associative desorption from transition metal surfaces.     

Comparative investigation on decorating carbon nanotubes with different transition metals

The diffusion dynamics and structure evolvement of the transition metal (TM=Ni, Cu, Au, and Pt) atoms decorating carbon nanotubes (CNTs) with differences have been systematically studied by Monte Carlo (MC) simulation. The studies show that TM atoms can be encapsulated inside, aggregated and even wrapped on the surface of the CNT, which depend on the interactions among TM–TM and TM–C during the spontaneous diffusion process. The decorating effect is greatly influenced by the diameters of CNTs, TM atoms tend to be encapsulated inside the tube in the relatively large CNTs, while they are inclined to stack on the surface for the small ones. More interestingly, Au and Pt atoms would wrap around the smaller CNT, whereas Ni and Cu atoms are still clustering outside of the CNTs with the increase of the number of TM atoms. Simulation results indicate that Pt and Au possess a better wetting effect with CNT than Ni and Cu.