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Identification of defects responsible for optically detected magnetic resonance in hexagonal boron nitride
A Sajid, Kristian S Thygesen, Jeffrey R Reimers +1
Crystal defects in the two-dimensional insulator hexagonal boron nitride (hBN) can host localised electronic states that are candidates for applications in quantum technology, yet…
Accurate ground state- and quasiparticle energies: beyond the RPA and GW methods with adiabatic exchange-correlation kernels
Thomas Olsen, Christopher E. Patrick, Jefferson E. Bates +2
We review the theory and application of adiabatic exchange-correlation (xc-) kernels for ab initio calculations of ground state energies and quasiparticle excitations within the fr…
High throughput computational screening for 2D ferromagnetic materials: the critical role of anisotropy and local correlations
Daniele Torelli, Kristian S. Thygesen, Thomas Olsen
The recent observation of ferromagnetic order in two-dimensional (2D) materials has initiated a booming interest in the subject of 2D magnetism. In contrast to bulk materials, 2D m…