58 citations · 142 across the 8 of their papers we have counts for
3 papers · 1 filter
Coexisting Large and Small Polarons in Photoexcited CeO
Valentina Mazzotti, Eleonora Spurio, Nicolas Delnour +5
Time-resolved terahertz (THz) spectroscopy is used to probe polaron formation in CeO. The ultrafast THz photoconductivity is dominated by contributions from large hole and smal…
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…
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…