Excitons in 2D Magnets

S. Acharya, D. Pashov, Mark van Schilfgaarde

Research output: NRELPoster

Abstract

Theoretical abilities that we built: In our QSGW formalism, the electronic eigenfunctions are calculated self-consistently in presence of the ladder e-h vertex corrections to the screened Coulomb exchange. Charge and self-energies are recalculated iterated until the desired tolerance is achieved in the one-particle Green's function. Further, to include the multi-determinantal (spin-flip structure of multiplets) nature of many body correlations we combine QSGW with DMFT. Below we explore various classes of strongly correlated magnetic systems where excitons are sufficiently described within either the QSGW or the QSGW +DMFT approach. In the process, we establish the digrammatic requirements for a minimum-sufficient theory for describing excitons in large classes of materials.
Original languageAmerican English
PublisherNational Renewable Energy Laboratory (NREL)
StatePublished - 2024

Publication series

NamePresented at the Government's Materials Genome Initiative (MGI) Principal Investigator Workshop, 30-31 July 2024, Washington, D.C.

NREL Publication Number

  • NREL/PO-5F00-91308

Keywords

  • 2D magnets
  • 3D
  • excitons
  • ferromagnets
  • low dimensional magnets

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