6 citations · 8 across the 10 of their papers we have counts for
10 papers
High-fidelity kp representations of first-principles electronic band structures through covariant renormalization
Kristian Berland
The kp method can be applied directly to first-principles energies and momentum matrix elements, but the resulting models converge slowly with the number of bands and are in…
Plasmonic properties and correlation energies from a compact multipole representation of the dielectric response in 2D metals
Dario A. Leon, Claudia Cardoso, Kristian Berland
Multipole-Padé approximants provide a compact representation of dynamical response functions in terms of a small number of collective modes. Here, we generalize this framework to i…
Momentum- and frequency-resolved collective electronic excitations in solids: insights from spectroscopy and first-principles calculations
Dario A. Leon, Kristian Berland
Collective electronic excitations, including plasmons, excitons, and intra- and interband transitions, play a central role in determining the dynamic screening, optical response, a…
Bulk plasmons in elemental metals
Dario A. Leon, Claudia Cardoso, Kristian Berland
The spectral properties, momentum dispersion, and broadening of bulk plasmonic excitations of 26 elemental metals are studied from first principles calculations in the random-phase…
Common errors in BoltzTraP-based calculations
Øven A. Grimenes, Kristian Berland
Boltzmann transport calculations based on band structures computed from first principles play an important role in modern thermoelectric materials research. Among available codes,…
Self-consistent layer-projected scissors operator for band structures of complex 2D van der Waals materials
Dario A. Leon, Mikael Kuisma, Mikkel Ohm Sauer +6
We introduce a computationally efficient method to calculate the quasiparticle (QP) band structure of general van der Waals (vdW) heterostructures. A layer-projected scissors (LAPS…
Spectral properties from an efficient analytical representation of the self-energy within a multipole approximation
Dario A. Leon, Kristian Berland, Claudia Cardoso
We propose an efficient analytical representation of the frequency-dependent self-energy via a multipole approximation (MPA-). The multipole-Padé model for the self-ene…
Thermoelectric transport of strained CsKSb: The role of electron velocities and scattering within extended Fermi surfaces
Øven A. Grimenes, G. Jeffrey Snyder, Ole M. Løvvik +1
In this first-principles study, we investigated the thermoelectric properties of the full-Heusler compound CsKSb at different compressive strains. This material exhibits a vale…
Design of novel organic proton-transfer acid-base (anti-)ferroelectric salts with crystal structure prediction
Seyedmojtaba Seyedraoufi, Graeme M. Day, Kristian Berland
Organic molecular ferroelectrics, including organic proton-transfer ferroelectrics and antiferroelectrics, are potentially attractive in organic electronics and have significant ch…
Unraveling many-body effects in ZnO: Combined study using momentum-resolved electron energy-loss spectroscopy and first-principles calculations
Dario A. Leon, Cana Elgvin, Phuong Dan Nguyen +3
We present a detailed study of the dielectric response of ZnO using a combination of low-loss momentum-resolved electron energy-loss spectroscopy (EELS) and first-principles calcul…