217 citations · 787 across the 28 of their papers we have counts for
7 papers · 1 filter
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…
First principles modeling of defects in the Al_2O_3/In_0.53Ga_0.47As system
Gabriel Greene-Diniz, Kelin J. Kuhn, Paul K. Hurley +1
Density functional theory paired with a first order many-body perturbation theory correction is applied to determine formation energies and charge transition energies for point def…
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…
Electronic and structural properties of rhombohedral [111] and [110] oriented ultra-thin bismuth nanowires
Lida Ansari, Farzan Gity, James C. Greer
Structures and electronic properties of rhombohedral [111] and [110] bismuth nanowires are calculated with the use of density functional theory. The formation of an energy band gap…
Reinventing Solid State Electronics: Harnessing Quantum Confinement in Bismuth Thin Films
Farzan Gity, Lida Ansari, Martin Lanius +4
Solid state electronics relies on the intentional introduction of impurity atoms or dopants into a semiconductor crystal and/or the formation of junctions between different materia…
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…