79 citations · 285 across the 8 of their papers we have counts for
8 papers
Multi-scale approach to first-principles electron transport beyond 100 nm
Gaetano Calogero, Nick R. Papior, Mohammad Koleini +2
Multi-scale computational approaches are important for studies of novel, low-dimensional electronic devices since they are able to capture the different length-scales involved in t…
Atomic White-Out: Enabling Atomic Circuitry Through Mechanically Induced Bonding of Single Hydrogen Atoms to a Silicon Surface
Taleana Huff, Hatem Labidi, Mohammad Rashidi +4
We report the mechanically induced formation of a silicon-hydrogen covalent bond and its application in engineering nanoelectronic devices. We show that using the tip of a non-cont…
Time-Resolved Imaging of Negative Differential Resistance on the Atomic Scale
Mohammad Rashidi, Marco Taucer, Isil Ozfidan +6
Negative differential resistance remains an attractive but elusive functionality, so far only finding niche applications. Atom scale entities have shown promising properties, but v…
Multiple Silicon Atom Artificial Molecules
John A. Wood, Mohammad Rashidi, Mohammad Koleini +2
We present linear ensembles of dangling bond chains on a hydrogen terminated Si(100) surface, patterned in the closest spaced arrangement allowed by the surface lattice. Local dens…
Scanning tunneling spectroscopy reveals a silicon dangling bond charge state transition
Hatem Labidi, Marco Taucer, Mohammad Rashidi +6
We report the study of single dangling bonds (DB) on the hydrogen terminated silicon (100) surface using a low temperature scanning tunneling microscope (LT-STM). By investigating…
Extension of the B3LYP - Dispersion-Correcting Potential Approach to the Accurate Treatment of both Inter- and Intramolecular Interactions
Gino A. DiLabio, Mohammad Koleini, Edmanuel Torres
We recently showed that dispersion-correcting potentials (DCPs), atom-centered Gaussian-type functions developed for use with B3LYP (J. Phys. Chem. Lett. 2012, 3, 1738-1744) greatl…
Strong Spin-Filtering and Spin-Valve Effects in a Molecular V-C60-V Contact
Mohammad Koleini, Mads Brandbyge
Motivated by the recent achievements in manipulation of C60 molecules in STM experiments, we study theoretically the structure and electronic properties of a C60 molecule in an STM…
Gas Doping on the Topological Insulator Bi2Se3 Surface
Mohammad Koleini, Thomas Frauenheim, Binghai Yan
Gas molecule doping on the topological insulator Bi2 Se3 surface with existing Se vacancies is investigated using first-principles calculations. Consistent with experiments, NO2 an…