3 papers
cond-mat.mtrl-sci2026
Optimizing Density Functional Theory for Strain-Dependent Magnetic Properties of Monolayer MnBiTe with Diffusion Monte Carlo
Jeonghwan Ahn, Swarnava Ghosh, Seoung-Hun Kang +6
Monolayer MnBiTe (MBT) is an intrinsically magnetic topological insulator whose magnetic response is strongly affected by strain and electron correlation. In density fu…
cond-mat.mtrl-sci2025
Strain engineering of doped hydrogen passivated silicon quantum dots
Swarnava Ghosh, Markus Eisenbach
Silicon quantum dots are nanomaterials that are attractive candidates for photovoltaic applications. Doping of these materials creates p-n junctions and is important for solar cell…
cond-mat.mtrl-sci2024
Inversion of Dislocation-Impurity Interactions in -Fe under Magnetic State Changes
Franco Moitzi, Lorenz Romaner, Andrei V. Ruban +3
In this work, we investigate the dislocation-impurity interaction energies and their profiles for various \textit{3d} elements \textemdash V, Cr, Mn, Cu, Ni, and Co \textemdash in…