162 citations · 202 across the 5 of their papers we have counts for
5 papers
Improving LiO conductance via polaron preemption: an \textit{ab initio} study of Si doping
Vladimir Timoshevskii, Zimin Feng, Kirk Bevan +1
We report on \textit{ab initio} electronic structure simulations of LiO, where 1.6% of lithium atoms are substituted by silicon. It is demonstrated that this leads to the f…
Quantum transport modeling of Fe/MgO/Fe magnetic tunnel junction with FeO buffer layer: the effects of correlations
Vladimir Timoshevskii, Yibin Hu, É. Marcotte +1
We report \textit{ab initio} simulations of quantum transport properties of Fe/MgO/Fe trilayer structures with FeO buffer iron oxide layer, where on-site Coulomb interactio…
Doping of C-induced electronic states in BN nanopeapods
Vladimir Timoshevskii, Michel Cote
We report the results of \textit{ab initio} simulations of the electronic properties of a chain of C molecules encapsulated in a boron nitride nanotube - so called BN-nanope…
First principles modeling of tunnel magnetoresistance of Fe/MgO/Fe trilayers
Derek Waldron, Vladimir Timoshevskii, Yibin Hu +2
By carrying out density functional theory analysis within the Keldysh non-equilibrium Green's functional formalism, we have calculated the nonlinear and non-equilibrium quantum tra…
Electronic structure, hyperfine interactions and disordering effects in iron nitride Fe4N
A. N. Timoshevskii, V. A. Timoshevskii, B. Z. Yanchitsky +1
Iron nitride Fe4N is studied by full-potential LAPW method. Structure parameters, electronic and magnetic properties as well as hyperfine interaction parameters are obtained. We ob…