1.6k citations · 1.8k across the 9 of their papers we have counts for
9 papers
Physics of acceptors in GaN: Koopmans tuned HSE hybrid functional calculations and experiment
Denis O. Demchenko, Mykhailo Vorobiov, Oleksandr Andrieiev +3
The Heyd-Scuseria-Ernzerhof (HSE) hybrid functional has become a widely used tool for theoretical calculations of point defects in semiconductors. It generally offers a satisfactor…
AFLOW: An automatic framework for high-throughput materials discovery
Stefano Curtarolo, Wahyu Setyawan, Gus L. W. Hart +11
Recent advances in computational materials science present novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds and metastabl…
Localized Electron States Near a Metal-Semiconductor Nanocontact
Denis O. Demchenko, Lin-Wang Wang
The electronic structure of nanowires in contact with metallic electrodes of experimentally relevant sizes is calculated by incorporating the electrostatic polarization potential i…
Influence of interface structure on electronic properties and Schottky barriers in Fe/GaAs magnetic junctions
D. O. Demchenko, Amy Y. Liu
The electronic and magnetic properties of Fe/GaAs(001) magnetic junctions are investigated using first-principles density-functional calculations. Abrupt and intermixed interfaces…
Optical transitions and nature of Stokes shift in spherical CdS quantum dots
D. O. Demchenko, Lin-Wang Wang
We study the structure of the energy spectra along with the character of the states participating in optical transitions in colloidal CdS quantum dots (QDs) using the {\sl ab initi…
Effect of Particle-Hole Asymmetry on the Mott-Hubbard Metal-Insulator Transition
D. O. Demchenko, A. V. Joura, J. K. Freericks
The Mott-Hubbard metal-insulator transition is one of the most important problems in correlated electron systems. In the past decade, much progress has been made on examining a par…