58 citations · 94 across the 5 of their papers we have counts for
3 papers
cond-mat.mes-hall2008★ 5 cited
Real space first-principles derived semiempirical pseudopotentials applied to tunneling magnetoresistance
K. H. Bevan, Tony Low, H. Guo
In this letter we present a real space density functional theory (DFT) localized basis set semi-empirical pseudopotential (SEP) approach. The method is applied to iron and magnesiu…
cond-mat.other2006★ 21 cited
Incoherent Transport through Molecules on Silicon in the vicinity of a Dangling Bond
Hassan Raza, Kirk H. Bevan, Diego Kienle
We theoretically study the effect of a localized unpaired dangling bond (DB) on occupied molecular orbital conduction through a styrene molecule bonded to a n++ H:Si(001)-(2x1) sur…
cond-mat.mtrl-sci2006★ 58 cited
Extended Huckel theory for bandstructure, chemistry, and transport. II. Silicon
Diego Kienle, Jorge I. Cerda, Kirk H. Bevan +3
In this second paper, we develop transferable semi-empirical parameters for the technologically important material, silicon, using Extended Huckel Theory (EHT) to calculate its ele…