Paramagnetic electronic structure of CrSBr: Comparison between <i>ab initio</i> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math> theory and angle-resolved photoemission spectroscopy
Marco Bianchi, Swagata Acharya, Florian Dirnberger, Julian Klein, Dimitar Pashov, Kseniia Mosina, Zdeněk Sofer, А. Н. Руденко, M. I. Katsnelson, Mark van Schilfgaarde, Malte Rösner, Philip Hofmann
Abstract
Understanding the electronic structure of the layered magnetic semiconductor CrSBr is a formidable challenge for both experiment and theory. The material is highly insulating at low temperatures, preventing angle-resolved photoemission spectroscopy investigations in the magnetically ordered phase. Theoretically, not only the non-local Coulomb interaction in the low-dimensional compound needs to be addressed properly, but a comparison to the experimental data also requires an approximate handling of the paramagnetic phase. Including these effects gives an excellent understanding of the experimentally observed band structure.