Corpus ID: 235422109

Electronic Structure of Chromium Trihalides beyond Density Functional Theory

  title={Electronic Structure of Chromium Trihalides beyond Density Functional Theory},
  author={Swagata Acharya and D. Pashov and B. Cunningham and A. Rudenko and M. Rosner and M. Gruning and M. Schilfgaarde and M. Katsnelson},
Swagata Acharya,1, ∗ Dimitar Pashov,2 Brian Cunningham,3 Alexander N. Rudenko,1 Malte Rösner,1 Myrta Grüning,4 Mark van Schilfgaarde,2, 5 and Mikhail I. Katsnelson1 Institute for Molecules and Materials, Radboud University, NL-6525 AJ Nijmegen, The Netherlands King’s College London, Theory and Simulation of Condensed Matter, The Strand, WC2R 2LS London, UK Centre for Theoretical Atomic, Molecular and Optical Physics, Queen’s University Belfast, Belfast BT71NN, Northern Ireland, United Kingdom… Expand
1 Citations
First principles vs second principles: Role of charge self-consistency in strongly correlated systems
First principles approaches have been successful in solving many-body Hamiltonians for real materials to an extent when correlations are weak or moderate. As the electronic correlations becomeExpand


QSGW: Quasiparticle Self consistent GW with ladder diagrams in W
We present an approach to calculate the electronic structure for a range of materials using the quasiparticle self-consistent GW method with vertex corrections included in the screened CoulombExpand
Environmental Screening and Ligand-Field Effects to Magnetism in CrI$_3$ Monolayer
We present a detailed study on the microscopic origin of magnetism in suspended and dielectrically embedded CrI3 monolayer. To this end, we down-fold two distinct minimal generalized Hubbard modelsExpand