64 citations · 471 across the 44 of their papers we have counts for
9 papers · 2 filters
Atomistic theory of hot carrier relaxation in large plasmonic nanoparticles
S. M. João, Hanwen Jin, Johannes Lischner
Recently, there has been significant interest in harnessing hot carriers generated from the decay of localized surface plasmons in metallic nanoparticles for applications in photoc…
Optical Properties of Charged Defects in Monolayer MoS
Martik Aghajanian, Arash A. Mostofi, Johannes Lischner
We present theoretical calculations of the optical spectrum of monolayer MoS with a charged defect. In particular, we solve the Bethe-Salpeter equation based on an atomistic ti…
Breakdown of phonon band theory in MgO
Gabriele Coiana, Johannes Lischner, Paul Tangney
We present a series of detailed images of the distribution of kinetic energy among frequencies and wavevectors in the bulk of an MgO crystal as it is heated slowly until it melts.…
Combining the -Self-Consistent-Field and GW Methods for Predicting Core Electron Binding Energies in Periodic Solids
Juhan Matthias Kahk, Johannes Lischner
For the computational prediction of core electron binding energies in solids, two distinct kinds of modelling strategies have been pursued: the -Self-Consistent-Field method bas…
Theory of hot-carrier generation in bimetallic plasmonic catalysts
Hanwen Jin, Matias Herran, Emiliano Cortes +1
Bimetallic nanoreactors in which a plasmonic metal is used to funnel solar energy towards a catalytic metal have recently been studied experimentally, but a detailed theoretical un…
Dirac half-semimetallicity and antiferromagnetism in graphene nanoribbon/hexagonal boron nitride heterojunctions
Nikita V. Tepliakov, Ruize Ma, Johannes Lischner +3
Half-metals have been envisioned as active components in spintronic devices by virtue of their completely spin-polarized electrical currents. Actual materials hosting half-metallic…