45 citations · 47 across the 3 of their papers we have counts for
3 papers
Charge transfer states at the interface of the pentacene monolayer on TiO and their influence on the optical spectrum
M. P. Ljungberg, O. Vänskä, P. Koval +3
The full monolayer of pentacene adsorbed on rutile TiO(110) provides an intriguing model to study charge-transfer excitations where the optically excited electrons and holes re…
Calculation of the graphene C 1 core level binding energy
Toma Susi, Duncan J. Mowbray, Mathias P. Ljungberg +1
X-ray photoelectron spectroscopy (XPS) combined with first principles modeling is a powerful tool for determining the chemical composition and electronic structure of novel materia…
Ab initio investigation of competing instabilities in ferroelectric perovskite PbTiO3
Jacek C. Wojdeł, Patrick Hermet, Mathias P. Ljungberg +2
We have developed first-principles models, based on a general parametrization of the full potential-energy surface, to investigate the lattice-dynamical properties of perovskite ox…