Silicon nanowire band gap modification (2010)
Nolan, Michael, O'Callaghan, Sean, Fagas, Giorgos, Greer, James C., Frauenheim, Thomas
Band gap modification for small-diameter (1 nm) silicon nanowires resulting from the use of different species for surface termination is investigated by density functional theory calculations....
Ballistic Conductance in Oxidized Si Nanowires (2010)
Fagas, Giorgos, Greer, James C.
The influence of local oxidation in silicon nanowires on hole transport, and hence the effect of varying the oxidation state of silicon atoms at the wire surface, is studied using density functional...
Effective-mass model of surface scattering in locally oxidized Si nanowires (2010)
Drouvelis, Panagiotis, Fagas, Giorgos
We present a simple model to describe the lowest-subbands surface scattering in locally oxidized silicon nanowires grown in the [110] direction. To this end, we employ an atomistically scaled...
Tunnelling in alkanes anchored to gold electrodes via amine end groups (2007)
Fagas, Giorgos, Greer, James C.
For investigation of electron transport on the nanoscale, a system possessing a simple to interpret electronic structure is composed of alkane chains bridging two electrodes via end groups; to date...
Determination of complex absorbing potentials from the electron self-energy (2006)
Henderson, Thomas M., Fagas, Giorgos, Hyde, Eoin, Greer, James C.
The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between...
Magnetically controlled current flow in coupled-dot arrays (2006)
Drouvelis, Panagiotis, Fagas, Giorgos, Schmelcher, Peter
Quantum transport through an open periodic array of up to five dots is investigated in the presence of a magnetic field. The device spectrum exhibits clear features of the band structure of the...
Independent particle descriptions of tunneling from a many-body perspective (2006)
Fagas, Giorgos, Delaney, Paul, Greer, James C.
Currents across thin insulators are commonly taken as single electrons moving across classically forbidden regions; this independent particle picture is well-known to describe most tunneling...
Introducing Molecular Electronics (2006)
Cuniberti, Gianaurelio, Fagas, Giorgos, Richter, Klaus
This volume presents a summary of our current understanding of molecular electronics combined with selected state-of-the-art results at a level accessible to the advanced undergraduate or novice...
Fagas, Giorgos, Tkachov, Grigory, Pfund, Andreas, Richter, Klaus
We study Andreev reflection in a ballistic one-dimensional channel coupled in parallel to a superconductor via a tunnel barrier of finite length $L$. The dependence of the low-energy Andreev...
Fagas, Giorgos, Tkachov, Grygoriy, Pfund, Andreas, Richter, Klaus
We study Andreev reflection in a ballistic one- dimensional channel coupled in parallel to a superconductor via a tunnel barrier of finite length {\it L}. The dependence of the low-energy Andreev...
Fytas, Nikolaos G., Diakonos, Fotis K., Schmelcher, Peter, Scheid, Matthias, Lassl, Andreas, Richter, Klaus, ...
We perform a comparative study of the quantum and classical transport probabilities of low-energy quasiparticles ballistically traversing normal and Andreev two-dimensional open cavities with a...
Introducing Molecular Electronics (2005)
Cuniberti, Gianaurelio, Fagas, Giorgos, Richter, Klaus
This volume presents a summary of our current understanding of molecular electronics combined with selected state-of-the-art results at a level accessible to the advanced undergraduate or novice...
Introducing Molecular Electronics: A Brief Overview (2005)
Cuniberti, Gianaurelio, Fagas, Giorgos, Richter, Klaus
We give a brief account of the foundations, state-of-the-art, major topics, and challenges of charge transport at the molecular scale. This summary is not aiming at completeness, but rather gives an...
Conductance Properties of Carbon-Based Molecular Junctions (2004)
Fagas, Giorgos, Kambili, Agapi
We present a comprehensive study of the properties of the off-resonant conductance spectrum in oligomer nanojunctions between graphitic electrodes. By employing first-principle-based methods and the...
Fagas, Giorgos, Kambili, Agapi, Elstner, Marcus
We validate that off-resonant electron transport across {\it ultra-short} oligomer molecular junctions is characterised by a conductance which decays exponentially with length, and we discuss a...
Manifestation of electrode surface states in molecular conduction (2004)
Fagas, Giorgos, Gutiérrez, Rafael, Richter, Klaus, Grossmann, Frank, Schmidt, Rüdiger
Fagas, Giorgos, Kambili, Agapi, Elstner, Marcus
We validate that off-resonant electron transport across {\it ultra-short} oligomer molecular junctions is characterised by a conductance which decays exponentially with length, and we discuss a...
Conductance of a molecular junction mediated by unconventional metal-induced gap states (2003)
Gutiérrez, Rafael, Fagas, Giorgos, Richter, Klaus, Grossmann, Frank, Schmidt, Rüdiger
The conductance of a molecular junction is commonly determined by either charge-transfer doping, where alignment of the Fermi energy to the molecular levels is achieved, or tunnelling through the...
Fingerprints of mesoscopic leads in the conductance of a molecular wire (2002)
Cuniberti, Gianaurelio, Fagas, Giorgos, Richter, Klaus
The influence of contacts on linear transport through a molecular wire attached to mesoscopic tubule leads is studied. It is shown that low dimensional leads, such as carbon nanotubes, in contrast to...
Theory of an all-carbon molecular switch (2002)
Gutiérrez, Rafael, Fagas, Giorgos, Cuniberti, Gianaurelio, Grossmann, Frank, Schmidt, Rüdiger, Richter, Klaus
We study electron transport across a carbon molecular junction consisting of a C$_{60}$ molecule sandwiched between two semi-infinite metallic carbon nanotubes. It is shown that the Landauer...
Fullerene based devices for molecular electronics (2002)
Cuniberti, Gianaurelio, Gutiérrez, Rafael, Fagas, Giorgos, Grossmann, Frank, Richter, Klaus, Schmidt, Rüdiger
We have investigated the electronic properties of a C60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment utilizing a density functional...
Molecular Wire-Nanotube Interfacial Effects on Electron Transport (2002)
Giorgos Fagas, Gianaurelio Cuniberti, Klaus Richter
We discuss the conductance of a molecular bridge between mesoscopic electrodes supporting low-dimensional transport and bearing an internal structure.
Conductance of a molecular wire attached to mesoscopic leads: contact effects (2001)
Cuniberti, Gianaurelio, Fagas, Giorgos, Richter, Klaus
We study linear electron transport through a molecular wire sandwiched between nanotube leads. We show that the presence of such electrodes strongly influences the calculated conductance. We find...
Electron transport in nanotube-molecular wire hybrids (2001)
Fagas, Giorgos, Cuniberti, Gianaurelio, Richter, Klaus
We study contact effects on electron transport across a molecular wire sandwiched between two semi-infinite (carbon) nanotube leads as a model for nanoelectrodes. Employing the Landauer scattering...
A molecular wire sandwiched between nanotube leads: analytic results for the conductance (2001)
Cuniberti, Gianaurelio, Fagas, Giorgos, Richter, Klaus
Analytic results for the conductance of a molecular wire attached to mesoscopic tubule leads are obtained. They permit to study linear transport in presence of low dimensional leads in the whole...