3 papers
cond-mat.mes-hall2026
Refined DFT recipe and renormalisation of band-edge parameters for electrons in monolayer MoS informed by the measured spin-orbit splitting
Igor Rozhansky, Michele Masseroni, Ricardo Pisoni +6
Conduction band-edge spin-orbit splitting (SOS) in monolayer transition metal dichalcogenides determines a competition between bright and dark excitons and sets conditions for spin…
cond-mat.mes-hall2025
Sub-nm Curvature Unlocks Quantum Flexoelectricity in Graphene
Sathvik Ajay Iyengar, James G. McHugh, Jonathan P. Salvage +5
Flexoelectricity, polarization induced by strain gradients, is especially pronounced in two-dimensional (2D) materials due to their mechanical flexibility and sensitivity to mechan…
cond-mat.mes-hall2025
Ferroelectric Properties of van der Waals Chalcogenides: DFT perspective
Xue Li, James G. McHugh, Vladimir I. Falko
Layered materials with non-centrosymmetric stacking order are attracting increasing interest due to the presence of ferroelectric polarization, which is dictated by weak interlayer…