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We propose a mixed analytical-ab-initio method for the accurate calculation of the conductance in monovalent atomic wires. The method relies on the most general formula for ballistic transport through a monovalent wire, whose parameters can…

Mesoscale and Nanoscale Physics · Physics 2016-08-16 Péter Major , V. M. García-Suárez , S. Sirichantaropass , József Cserti , C. J. Lambert , J. Ferrer , Géza Tichy

Understanding of charge transport mechanisms in nanoscale structures is essential for the development of molecular electronic devices. Charge transport through 1D molecular systems connected between two contacts is influenced by several…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Daijiro Nozaki , Horacio M. Pastawski , Gianaurelio Cuniberti

Using spin density functional theory we study the electronic and magnetic properties of atomically thin, suspended chains containing silver and oxygen atoms in an alternating sequence. Chains longer than 4 atoms develop a half-metallic…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Mikkel Strange , Kristian S. Thygesen , James P. Sethna , Karsten W. Jacobsen

We report an unusual insulating state in one-dimensional quantum wires with a non-uniform confinement potential. The wires consist of a series of closely spaced split gates in high mobility GaAs/AlGaAs heterostructures. At certain…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 KJ Thomas , DL Sawkey , M Pepper , WR Tribe , I Farrer , MY Simmons , DA Ritchie

We reveal the role of aurophilic interactions in the formation and conductance of gold cyanide molecular wires of variable length-to-width ratios assembled at the tip of an STM break junction in ambient conditions. Specifically, we identify…

Mesoscale and Nanoscale Physics · Physics 2025-08-05 Sigifredo Luna , Hannah E Skipper , Brent Lawson , Eric S Cueny , Maria Kamenetska

We consider the dynamics of an electron in an infinite disordered metallic wire. We derive exact expressions for the probability of diffusive return to the starting point in a given time. The result is valid for wires with or without…

Mesoscale and Nanoscale Physics · Physics 2017-11-15 E. Khalaf , P. M. Ostrovsky

We have applied first-principles density-functional calculations to the study of the energetics, and the elastic and electronic properties of monatomic wires of Au, Cu, K, and Ca in linear and a planar-zigzag geometries. For Cu and Au…

Materials Science · Physics 2009-10-31 Daniel Sanchez-Portal , Emilio Artacho , Javier Junquera , Alberto Garcia , Jose M. Soler

We study transport through a one-dimensional quantum wire of correlated fermions connected to semi-infinite leads. The wire contains either a single impurity or two barriers, the latter allowing for resonant tunneling. In the leads the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 T. Enss , V. Meden , S. Andergassen , X. Barnabe-Theriault , W. Metzner , K. Schoenhammer

We suggest that highly conducting oriented polymers with a fibril structure can be modeled by a regular lattice of disordered metallic wires with a random first-neighbor interwire coupling which mimics the cross-links between fibrils. We…

Condensed Matter · Physics 2024-10-04 N. Dupuis

A theoretical analysis of a relation between atomic and spin-electronic structures for the ground state of single-row aluminum nanowires suspended between Al(001) electrodes is demonstrated using first-principles molecular-dynamics…

Condensed Matter · Physics 2009-11-10 Tomoya Ono , Shigeru Tsukamoto , Kikuji Hirose

We induce superconductivity by proximity effect in thin layers of gold and study the number of conduction channels which contribute to the current in one-atom contacts and atomic wires. The atomic contacts and wires are fabricated with a…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 G. Rubio-Bollinger , C. de las Heras , E. Bascones , N. Agrait , F. Guinea , S. Vieira

We present a detailed model describing the effects of wire corrugation on the trapping potential experienced by a cloud of atoms above a current carrying micro wire. We calculate the distortion of the current distribution due to corrugation…

We present results on electromigrated Au nanojunctions broken near the conductance quantum $77.5 \mu$S. At room temperature we find that wires, initially narrowed by an actively-controlled electromigration technique down to a few…

Materials Science · Physics 2007-05-23 K. O'Neill , E. A. Osorio , H. S. J. van der Zant

We have theoretically investigated the influence of interface roughness scattering on the low temperature mobility of electrons in quantum wires when electrons fill one or many subbands. We find the Drude conductance of the wire with length…

Mesoscale and Nanoscale Physics · Physics 2018-01-17 Han Fu , M. Sammon , B. I. Shklovskii

After making a cold weld by pressing two clean metal surfaces together, upon gradually separating the two pieces a metallic nanowire is formed, which progressively thins down to a single atom before contact is lost. In previous experiments…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 A. I. Yanson , I. K. Yanson , J. M. van Ruitenbeek

We present ab initio calculations of transport properties of atomic-sized aluminum contacts in the presence of oxygen. The experimental situation is modeled by considering a single oxygen atom (O) or one of the molecules O2 and O3 bridging…

Mesoscale and Nanoscale Physics · Physics 2009-05-24 S. Wohlthat , F. Pauly , J. K. Viljas , J. C. Cuevas , Gerd Schön

In one dimensional wires, fluctuations destroy superconducting long-range order and stiffness at finite temperatures; in an infinite wire, quasi-long range order and stiffness survive at zero temperature if the wire's dimensionless…

Superconductivity · Physics 2009-11-10 H. P. Büchler , V. B. Geshkenbein , G. Blatter

Recent experiments showed that the last, single channel conductance step in monatomic gold contacts exhibits significant fluctuations as a function of stretching. From simulations of a stretched gold nanowire linked to deformable tips, we…

Materials Science · Physics 2009-11-10 F. Picaud , V. Pouthier , C. Girardet , E. Tosatti

Bare silicon dimers on hydrogen-terminated Si(100) have two dangling bonds. These are atomically localized regions of high state density near to and within the bulk silicon band gap. We studied bare silicon dimers as monomeric units.…

At submonolayer coverage, Mn forms atomic wires on the Si(001) surface oriented perpendicular to the underlying Si dimer rows. While many other elements form symmetric dimer wires at room temperature, we show that Mn wires have an…

Mesoscale and Nanoscale Physics · Physics 2015-06-05 A. Fuhrer , F. J. Rueß , N. Moll , A. Curioni , D. Widmer