387 citations · 1.6k across the 30 of their papers we have counts for
4 papers · 1 filter
Assessing the SCAN functional for deep defects and small polarons in wide-bandgap semiconductors and insulators
Darshana Wickramaratne, John L. Lyons
We find the recently developed strongly constrained and appropriately normed (SCAN) functional, now widely used in calculations of many materials, is not able to reliably describe…
The deep-acceptor nature of the chalcogen vacancies in 2D transition-metal dichalcogenides
Shoaib Khalid, Bharat Medasani, John L. Lyons +2
Chalcogen vacancies in the semiconducting monolayer transition-metal dichalcogenides (TMDs) have frequently been invoked to explain a wide range of phenomena, including both uninte…
Ising superconductivity: a first-principles perspective
Darshana Wickramaratne, Igor I. Mazin
The recent discovery of Ising superconductivity has garnered a lot of interest due in part to the resilience of these superconductors to large in-plane magnetic fields. In this Per…
Protection of Ising spin-orbit coupling in bulk misfit superconductors
Tomas Samuely, Darshana Wickramaratne, Martin Gmitra +16
Low-dimensional materials have remarkable properties that are distinct from their bulk counterparts. A paradigmatic example is Ising superconductivity that occurs in monolayer mate…