3 papers
cond-mat.str-el2021
Photoemission spectra from the Extended Koopman's Theorem, revisited
S. Di Sabatino, J. Koskelo, J. Prodhon +3
The Extended Koopman's Theorem (EKT) provides a straightforward way to compute charged excitations from any level of theory. In this work we make the link with the many-body effect…
cond-mat.mtrl-sci2020
Photoemission spectrum in paramagnetic FeO under pressure: towards an \textit{ab-initio} description
S. Di Sabatino, J. Koskelo, J. A. Berger +1
In this work we provide an exhaustive study of the photemission spectrum of paramagnetic FeO under pressure using a refined version of our recently derived many-body effective ener…
cond-mat.mtrl-sci2016
First-principles analysis of the intermediate band in CuGaFeS
J. Koskelo, J. Hashemi, S. Huotari +1
We present a comprehensive study of the electronic, magnetic, and optical properties of CuGaFeS, as a promising candidate for intermediate-band (IB) solar cells. We…