36 citations · 70 across the 5 of their papers we have counts for
6 papers
Impact of stoichiometry and strain on GeSn alloys from first principles calculations
Conor O'Donnell, Alfonso Sanchez-Soares, Christopher A. Broderick +1
We calculate the electronic structure of germanium-tin (GeSn) binary alloys for using density functional theory (DFT). Relaxed alloys with semicondu…
Epitaxial Stabilisation of Alloys
Alfonso Sanchez-Soares, Conor O'Donnell, James C. Greer
The thermodynamic stability of germanium tin alloys is investigated across the composition range by applying density functional theory (DFT)…
Effect of strain, thickness, and local surface environment on electron transport properties of oxygen-terminated copper thin films
Alfonso Sanchez-Soares, Sarah L. T. Jones, John J. Plombon +4
Electron transport is studied in surface oxidized single-crystal copper thin films with a thickness of up to 5.6 nm by applying density functional theory and density functional tig…
Electron transport properties of sub-3-nm diameter copper nanowires
Sarah L. T. Jones, Alfonso Sanchez-Soares, John J. Plombon +4
Density functional theory and density functional tight-binding are applied to model electron transport in copper nanowires of approximately 1 nm and 3 nm diameters with varying cry…
A semimetal nanowire rectifier: balancing quantum confinement and surface electronegativity
Alfonso Sanchez-Soares, James C. Greer
For semimetal nanowires with diameters smaller than a few tens of nanometers, a semimetal-to-semiconductor transition is observed as the emergence of an energy band gap resulting f…
Electronic structure tuning via surface modification in semimetallic nanowires
Alfonso Sanchez-Soares, Conor O'Donnell, James C. Greer
Electronic structure properties of nanowires (NW) with diameters of 1.5 nm and 3 nm based on semimetallic -Sn are investigated by employing density functional theory and perturb…