3 papers
cond-mat.str-el2025
Atomic-scale control of substrate-spin coupling via vertical manipulation of a 2D metal-organic framework
Benjamin Lowe, Bernard Field, Dhaneesh Kumar +9
Two-dimensional (2D) materials with frustrated crystal geometries can host strongly correlated electrons, potentially leading to a range of exotic many-body quantum phases such as…
cond-mat.mtrl-sci2024
Modeling the Superlattice Phase Diagram of Transition Metal Intercalation in Bilayer 2H-TaS
Isaac M. Craig, B. Junsuh Kim, David T. Limmer +2
Van der Waals hosts intercalated with transition metal (TM) ions exhibit a range of magnetic properties strongly influenced by the structural order of the intercalants. However, pr…
cond-mat.mtrl-sci2024
Realistic non-collinear ground states of solids with source-free exchange correlation functional
Guy C. Moore, Matthew K. Horton, Aaron D. Kaplan +2
In this work, we extend the source-free (SF) exchange correlation (XC) functional developed by Sangeeta Sharma and co-workers to plane-wave density functional theory (DFT) based on…