activity
20242026
most citedCommon errors in BoltzTraP-based calculations

1 citations · 1 across the 3 of their papers we have counts for

collaborators

5 papers

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci20251 cited

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,…

cond-mat.mtrl-sci2025

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…

cond-mat.mtrl-sci2025

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…

cond-mat.mtrl-sci2024

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…