Electron-Transport Properties of Na Nanowires under Applied Bias Voltages

We present first-principles calculations on electron transport through Na nanowires at finite bias voltages. The nanowire exhibits a nonlinear current-voltage characteristic and negative differential conductance. The latter is explained by the drastic suppression of the transmission peaks which is attributed to the electron transportability of the negatively biased plinth attached to the end of the nanowire. In addition, the finding that a voltage drop preferentially occurs on the negatively biased side of the nanowire is discussed in relation to the electronic structure and conduction.Comment: 4 pages, 6 figure

The unusual protoplanetary disk around the T Tauri star ET Cha

We present new continuum and line observations, along with modelling, of the faint (6-8) Myr old T Tauri star ET Cha belonging to the eta Chamaeleontis cluster. We have acquired HERSCHEL/PACS photometric fluxes at 70 mic and 160 mic, as well as a detection of the [OI] 63 mic fine-structure line in emission, and derived upper limits for some other far-IR OI, CII, CO and o-H2O lines. The HERSCHEL data is complemented by new ANDICAM B-K photometry, new HST/COS and HST/STIS UV-observations, a non-detection of CO J=3-2 with APEX, re-analysis of a UCLES high-resolution optical spectrum showing forbidden emission lines like [OI] 6300A, [SII] 6731A and 6716A, and [NII] 6583A, and a compilation of existing broad-band photometric data. We used the thermo-chemical disk code ProDiMo and the Monte-Carlo radiative transfer code MCFOST to model the protoplanetary disk around ET Cha. Based on these models we can determine the disk dust mass Mdust = (2.E-8 - 5.E-8) Msun, whereas the total disk gas mass is found to be only little constrained, Mgas = (5.E-5 - 3.E-3) Msun. In the models, the disk extends from 0.022 AU (just outside of the co-rotation radius) to only about 10 AU. Larger disks are found to be inconsistent with the CO J=3-2 non-detection. The low velocity component of the [OI] 6300A emission line is consistent with being emitted from the inner disk. The model can also reproduce the line flux of H2 v=1-0 S(1) at 2.122 mic. An additional high-velocity component of the [OI] 6300A emission line, however, points to the existence of an additional jet/outflow of low velocity (40 - 65) km/s with mass loss rate ~1.E-9 Msun/yr. In relation to our low estimations of the disk mass, such a mass loss rate suggests a disk lifetime of only ~(0.05 - 3) Myr, substantially shorter than the cluster age. The evolutionary state of this unusual protoplanetary disk is discussed.Comment: accepted by Astronomy & Astrophysics (18 pages, 11 figures and 7 tables). Additional 9-page appendix with 6 figures, 3 tables and 37 equation

Silicon-based molecular electronics

Molecular electronics on silicon has distinct advantages over its metallic counterpart. We describe a theoretical formalism for transport through semiconductor-molecule heterostructures, combining a semi-empirical treatment of the bulk silicon bandstructure with a first-principles description of the molecular chemistry and its bonding with silicon. Using this method, we demonstrate that the presence of a semiconducting band-edge can lead to a novel molecular resonant tunneling diode (RTD) that shows negative differential resistance (NDR) when the molecular levels are driven by an STM potential into the semiconducting band-gap. The peaks appear for positive bias on a p-doped and negative for an n-doped substrate. Charging in these devices is compromised by the RTD action, allowing possible identification of several molecular highest occupied (HOMO) and lowest unoccupied (LUMO) levels. Recent experiments by Hersam et al. [1] support our theoretical predictions.Comment: Author list is reverse alphabetical. All authors contributed equally. Email: rakshit/liangg/ ghosha/[email protected]

Spin-triplet superconductivity in repulsive Hubbard models with disconnected Fermi surfaces: a case study on triangular and honeycomb lattices

We propose that spin-fluctuation-mediated spin-triplet superconductivity may be realized in repulsive Hubbard models with disconnected Fermi surfaces. The idea is confirmed for Hubbard models on triangular (dilute band filling) and honeycomb (near half-filling) lattices using fluctuation exchange approximation, where triplet pairing order parameter with f-wave symmetry is obtained. Possible relevance to real superconductors is suggested.Comment: 5 pages, 6 figures, RevTeX, uses epsf.sty and multicol.st

Commensurate-incommensurate transitions of quantum Hall stripe states in double-quantum-well systems

In higher Landau levels (N>0) and around filling factors nu =4N+1, a two-dimensional electron gas in a double-quantum-well system supports a stripe groundstate in which the electron density in each well is spatially modulated. When a parallel magnetic field is added in the plane of the wells, tunneling between the wells acts as a spatially rotating effective Zeeman field coupled to the ``pseudospins'' describing the well index of the electron states. For small parallel fields, these pseudospins follow this rotation, but at larger fields they do not, and a commensurate-incommensurate transition results. Working in the Hartree-Fock approximation, we show that the combination of stripes and commensuration in this system leads to a very rich phase diagram. The parallel magnetic field is responsible for oscillations in the tunneling matrix element that induce a complex sequence of transitions between commensurate and incommensurate liquid or stripe states. The homogeneous and stripe states we find can be distinguished by their collective excitations and tunneling I-V, which we compute within the time-dependent Hartree-Fock approximation.Comment: 23 pages including 8 eps figure

Strongly Correlated Electrons on a Silicon Surface: Theory of a Mott Insulator

We demonstrate theoretically that the electronic ground state of the potassium-covered Si(111)-B surface is a Mott insulator, explicitly contradicting band theory but in good agreement with recent experiments. We determine the physical structure by standard density-functional methods, and obtain the electronic ground state by exact diagonalization of a many-body Hamiltonian. The many-body conductivity reveals a Brinkman-Rice metal-insulator transition at a critical interaction strength; the calculated interaction strength is well above this critical value.Comment: 4 pages; 4 figures included in text; Revte

Theory of the anomalous Hall effect from the Kubo formula and the Dirac equation

A model to treat the anomalous Hall effect is developed. Based on the Kubo formalism and on the Dirac equation, this model allows the simultaneous calculation of the skew-scattering and side-jump contributions to the anomalous Hall conductivity. The continuity and the consistency with the weak-relativistic limit described by the Pauli Hamiltonian is shown. For both approaches, Dirac and Pauli, the Feynman diagrams, which lead to the skew-scattering and the side-jump contributions, are underlined. In order to illustrate this method, we apply it to a particular case: a ferromagnetic bulk compound in the limit of weak-scattering and free-electrons approximation. Explicit expressions for the anomalous Hall conductivity for both skew-scattering and side-jump mechanisms are obtained. Within this model, the recently predicted ''spin Hall effect'' appears naturally

Atomic Tunneling from a STM/AFM tip: Dissipative Quantum Effects from Phonons

We study the effects of phonons on the tunneling of an atom between two surfaces. In contrast to an atom tunneling in the bulk, the phonons couple very strongly, and qualitatively change the tunneling behavior. This is the first example of {\it ohmic} coupling from phonons for a two-state system. We propose an experiment in which an atom tunnels from the tip of an STM, and show how its behavior would be similar to the Macroscopic Quantum Coherence behavior predicted for SQUIDS. The ability to tune and calculate many parameters would lead to detailed tests of the standard theories. (For a general intro to this work on the on the World-Wide-Web: http://www.lassp.cornell.edu. Click on ``Entertaining Science Done Here'' and ``Quantum Tunneling of Atoms'')Comment: 12 pages, ReVTex3.0, two figures (postscript). This is a (substantially) revised version of cond-mat/9406043. More info (+ postscript text) at : http://www.lassp.cornell.edu/ardlouis/publications.htm

Transverse Electronic Transport through DNA Nucleotides with Functionalized Graphene Electrodes

Graphene nanogaps and nanopores show potential for the purpose of electrical DNA sequencing, in particular because single-base resolution appears to be readily achievable. Here, we evaluated from first principles the advantages of a nanogap setup with functionalized graphene edges. To this end, we employed density functional theory and the non-equilibrium Green's function method to investigate the transverse conductance properties of the four nucleotides occurring in DNA when located between the opposing functionalized graphene electrodes. In particular, we determined the electrical tunneling current variation as a function of the applied bias and the associated differential conductance at a voltage which appears suitable to distinguish between the four nucleotides. Intriguingly, we observe for one of the nucleotides a negative differential resistance effect.Comment: 19 pages, 7 figure