3 papers
cond-mat.mtrl-sci2024
Two-dimensional altermagnets from high throughput computational screening: symmetry requirements, chiral magnons and spin-orbit effects
Joachim Sødequist, Thomas Olsen
We present a high throughput computational search for altermagnetism in two-dimensional (2D) materials based on the Computational 2D Materials Database (C2DB). We start by showing…
cond-mat.mtrl-sci2023
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…
cond-mat.mtrl-sci2023
Magnetic order in the computational 2D materials database (C2DB) from high throughput spin spiral calculations
Joachim Sødequist, Thomas Olsen
We report a detailed investigation of the magnetic order in 192 stable magnetic two-dimensional materials from the Computational 2D Materials Database having one magnetic atom in t…