First-principles study of the atomic and electronic structure of the Si(111)-(5x2-Au surface reconstruction

We present a systematic study of the atomic and electronic structure of the Si(111)-(5x2)-Au reconstruction using first-principles electronic structure calculations based on the density functional theory. We analyze the structural models proposed by Marks and Plass [Phys. Rev. Lett.75, 2172 (1995)], those proposed recently by Erwin [Phys. Rev. Lett.91, 206101 (2003)], and a completely new structure that was found during our structural optimizations. We study in detail the energetics and the structural and electronic properties of the different models. For the two most stable models, we also calculate the change in the surface energy as a function of the content of silicon adatoms for a realistic range of concentrations. Our new model is the energetically most favorable in the range of low adatom concentrations, while Erwin's "5x2" model becomes favorable for larger adatom concentrations. The crossing between the surface energies of both structures is found close to 1/2 adatoms per 5x2 unit cell, i.e. near the maximum adatom coverage observed in the experiments. Both models, the new structure and Erwin's "5x2" model, seem to provide a good description of many of the available experimental data, particularly of the angle-resolved photoemission measurements

Structural models for the Si(553)-Au atomic chain reconstruction

Recent photoemission experiments on the Si(553)-Au reconstruction show a one-dimensional band with a peculiar ~1/4 filling. This band could provide an opportunity for observing large spin-charge separation if electron-electron interactions could be increased. To this end, it is necessary to understand in detail the origin of this surface band. A first step is the determination of the structure of the reconstruction. We present here a study of several structural models using first-principles density functional calculations. Our models are based on a plausible analogy with the similar and better known Si(557)-Au surface, and compared against the sole structure proposed to date for the Si(553)-Au system [Crain JN et al., 2004 Phys. Rev. B 69 125401 ]. Results for the energetics and the band structures are given. Lines for the future investigation are also sketched

Transport in disordered two-dimensional topological insulator

We study experimentally the transport properties of "inverted" semiconductor HgTe-based quantum well, which is related to the two-dimensional topological insulator, in diffusive transport regime. We perform nonlocal electrical measurements in the absence of the magnetic field and observe large signal due to the edge states. It demonstrates, that the edge states can propagate over long distance 1 mm, and, therefore, there is no difference between local and non local electrical measurements in topological insulator. In the presence of the in-plane magnetic field we find strong decrease of the local resistance and complete suppression of the nonlocal resistance. We attribute this observation to the transition between topological insulator and bulk metal induced by the in-plane magnetic field.Comment: 4.5 pages, 4 figure

Double non-equivalent chain structure on vicinal Si(557)-Au surface

We study electronic and topographic properties of the vicinal Si(557)-Au surface using scanning tunneling microscopy and reflection of high energy electron diffraction technique. STM data reveal double wire structures along terraces. Moreover behavior of the voltage dependent STM tip - surface distance is different in different chains. While the one chain shows oscillations of the distance which are sensitive to the sign of the voltage bias, the oscillations in the other chain remain unchanged with respect to the positive/negative biases. This suggests that one wire has metallic character while the other one - semiconducting. The experimental results are supplemented by theoretical calculations within tight binding model suggesting that the observed chains are made of different materials, one is gold and the other one is silicon chain.Comment: 9 pages, 12 figures, accepted for publication in Phys. Rev.

Thermally activated intersubband scattering and oscillating magnetoresistance in quantum wells

Experimental studies of magnetoresistance in high-mobility wide quantum wells reveal oscillations which appear with an increase in temperature to 10 K and whose period is close to that of Shubnikov-de Haas oscillations. The observed phenomenon is identified as magnetointersubband oscillations caused by the scattering of electrons between two occupied subbands and the third subband which becomes occupied as a result of thermal activation. These small-period oscillations are less sensitive to thermal suppression than the largeperiod magnetointersubband oscillations caused by the scattering between the first and the second subbands. Theoretical study, based on consideration of electron scattering near the edge of the third subband, gives a reasonable explanation of our experimental findings.Comment: 9 pages, 5 figure

Unconventional Hall effect near charge neutrality point in a two-dimensional electron-hole system

The transport properties of the two-dimensional system in HgTe-based quantum wells containing simultaneously electrons and holes of low densities are examined. The Hall resistance, as a function of perpendicular magnetic field, reveals an unconventional behavior, different from the classical N-shaped dependence typical for bipolar systems with electron-hole asymmetry. The quantum features of magnetotransport are explained by means of numerical calculation of the Landau level spectrum based on the Kane Hamiltonian. The origin of the quantum Hall plateau {\sigma}xy = 0 near the charge neutrality point is attributed to special features of Landau quantization in our system.Comment: 8 pages, 7 figure