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Semiconductor nanowires (NWs) have a broad range of applications for nano- and optoelectronics. The strain field of gallium nitride (GaN) NWs could be significantly changed when contacts are applied to them to form a final device,…

This work analyzes the emission and radiation properties of a single optical emitter embedded in a graphene-coated subwavelength wire. We discuss the modifications of the spontaneous emission rate and the radiation efficiency as a function…

Optics · Physics 2017-08-23 Mauro Cuevas

The bias-dependent transport properties of short poly(G)-poly(C) A-DNA strands attached to Au electrodes are investigated with first principles electronic transport methods. By using the non- equilibrium Green's function approach combined…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 C. D. Pemmaraju , I. Rungger , X. Chen , A. R. Rocha , S. Sanvito

The dependence of electron transfer rates and yields in bridged molecular systems on the bridge length, and the dependence of the zero-bias conduction of molecular wires on wire length are discussed. Both phenomena are controlled by…

Chemical Physics · Physics 2007-05-23 Spiros Skourtis , Abraham Nitzan

Silicon can be heavily doped with phosphorus in a single atomic layer (a $\delta$ layer), significantly altering the electronic structure of the conduction bands within the material. Recent progress has also made it possible to further dope…

Materials Science · Physics 2026-02-26 Quinn T. Campbell , Andrew D. Baczewski , Shashank Misra , Evan M. Anderson

Acceptor and donor doping is a standard for tailoring semiconductors. More recently, doping was adapted to optimize the behavior at ferroelectric domain walls. In contrast to more than a century of research on semiconductors, the impact of…

The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…

Materials Science · Physics 2025-07-08 Sujoy Datta , Prashant Singh

We performed detailed conductivity and tunneling mesurements on the amorphous, magnetically doped material $\alpha$-Gd$_x$Si$_{1-x}$ (GdSi), which can be driven through the metal-insulator transition by the application of an external…

Strongly Correlated Electrons · Physics 2009-11-10 L. Bokacheva , W. Teizer , F. Hellman , R. C. Dynes

The electronic property of NiFe$_2$O$_4$ nanowire device is investigated through nonequilibrium Green's functions (NEGF) in combination with density functional theory (DFT). The electronic transport properties of NiFe$_2$O$_4$ nanowire are…

Mesoscale and Nanoscale Physics · Physics 2017-07-03 V. Nagarajan , R. Chandiramouli

Ionic transport in nanopores or nanochannels is key to many cellular processes and is now being explored as a method for DNA/polymer sequencing and detection. Although apparently simple in its scope, the study of ionic dynamics in confined…

Mesoscale and Nanoscale Physics · Physics 2013-06-13 Andrew Meyertholen , Massimiliano Di Ventra

Long, stable and free-standing linear atomic carbon wires have been carved out from graphene recently [Meyer et al: Nature (London) 2008, 454, 319; Jin et al: Phys: Rev: Lett: 2009, 102, 205501]. They can be considered as the extremely…

Atomic and Molecular Clusters · Physics 2010-10-28 L. Shen , M. G. Zeng , S. W. Yang , C. Zhang , X. F. Wang , Y. P. Feng

We study the effects of disorder in the electronic properties of graphene multilayers, with special focus on the bilayer and the infinite stack. At low energies and long wavelengths, the electronic self-energies and density of states…

Strongly Correlated Electrons · Physics 2013-05-29 Johan Nilsson , A. H. Castro Neto , F. Guinea , N. M. R. Peres

Over the last decade, progress in wide bandgap, III-V materials systems based on gallium nitride (GaN) has been a major driver in the realization of high power and high frequency electronic devices. Since the highly conductive,…

Metal nanowires exhibit a number of interesting properties: their electrical conductance is quantized, their shot-noise is suppressed by the Pauli principle, and they are remarkably strong and stable. We show that many of these properties…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 C. A. Stafford

We present a rigorous and computationally efficient method to do a parameter-free analysis of molecular wires connected to contacts. The self-consistent field approach is coupled with Non-equilibrium Green's Function (NEGF) formalism to…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 Prashant Damle , Avik W. Ghosh , Supriyo Datta

Despite the importance of Si:P delta-doped wires for modern nanoelectronics, there are currently no computational models of electron transport in these devices. In this paper we present a nonequilibrium Green's function model for electronic…

Mesoscale and Nanoscale Physics · Physics 2016-01-20 J. S. Smith , D. W. Drumm , A. Budi , J. A. Vaitkus , J. H. Cole , S. P. Russo

Molecular wires with high electrical conductance are desirable components for future molecular-scale circuitry. However, their conductance typically decays exponentially with increasing length. Here, we report a novel discovery that the…

Mesoscale and Nanoscale Physics · Physics 2024-10-08 Famin Yu , Rui-Qin Zhang , Zhigang Wang

We present first principles calculations of current-voltage characteristics (IVC) and conductance of Au(111):S2-cumulene-S2:Au(111) molecular wire junctions with realistic contacts. The transport properties are calculated using full…

Mesoscale and Nanoscale Physics · Physics 2010-09-30 J. Prasongkit , A. Grigoriev , G. Wendin , Rajeev Ahuja

Ballistic semiconductor structures have allowed the realization of optics-like phenomena in electronics, including magnetic focusing and lensing. An extension that appears unique to graphene is to use both n and p carrier types to create…

Mesoscale and Nanoscale Physics · Physics 2011-04-27 J. R. Williams , Tony Low , M. S. Lundstrom , C. M. Marcus

Graphene nanomeshes (GNMs), formed by creating a superlattice of pores in graphene, possess rich physical and chemical properties. Many of these properties are determined by the pore geometry. In this work, we use first principles…

Materials Science · Physics 2016-12-06 Mohamed M. Fadlallah , Ahmed A. Maarouf , Udo Schwingenschlögl , Ulrich Eckern