263 citations · 1.1k across the 28 of their papers we have counts for
4 papers · 1 filter
Downfolding from Ab Initio to Interacting Model Hamiltonians: Comprehensive Analysis and Benchmarking of the DFT+cRPA Approach
Yueqing Chang, Erik G. C. P. van Loon, Brandon Eskridge +8
Model Hamiltonians are regularly derived from first-principles data to describe correlated matter. However, the standard methods for this contain a number of largely unexplored app…
Dielectric environment sensitivity of carbon centres in hexagonal boron nitride
Danis I. Badrtdinov, Carlos Rodriguez-Fernandez, Magdalena Grzeszczyk +11
A key advantage of utilizing van der Waals materials as defect-hosting platforms for quantum applications is the controllable proximity of the defect to the surface or the substrat…
NbCl: A Prototypical Layered Mott-Hubbard Insulator
Sergii Grytsiuk, Mikhail I. Katsnelson, Erik G. C. P. van Loon +1
The Hubbard model provides an idealized description of electronic correlations in solids. Despite its simplicity, the model features a competition between several different phases…
Dielectric tunability of magnetic properties in orthorhombic ferromagnetic monolayer CrSBr
Alexander N. Rudenko, Malte Rösner, Mikhail I. Katsnelson
Monolayer CrSBr is a recently discovered semiconducting spin-3/2 ferromagnet with a Curie temperature around 146 K. Unlike many other known two-dimensional (2D) magnets, CrSBr has…