BEGIN:VCALENDAR
VERSION:2.0
PRODID:icalendar-ruby
CALSCALE:GREGORIAN
X-WR-CALNAME:CMP Seminar - Dr. Zoltán Tajkov\, Eötvös University
X-WR-TIMEZONE:Eastern Time (US & Canada)
BEGIN:VEVENT
DTSTAMP:20260809T110852Z
UID:tag:localist.com\,2008:EventInstance_49178797932509
DTSTART:20250325T183000Z
DTEND:20250325T193000Z
DESCRIPTION:Relativistic Magnetic Interactions\n\nWe propose a method to de
 termine the magnetic exchange interaction and onsite anisotropy tensors of
  extended Heisenberg spin models from density functional theory including 
 relativistic effects. The method is based on the Liechtenstein-Katsnelson-
 Antropov-Gubanov torque formalism\, whereby energy variations upon infinit
 esimal rotations are performed. We assume that the Kohn-Sham Hamiltonian i
 s expanded in a nonorthogonal basis set of pseudoatomic orbitals. We defin
 e local operators that are both Hermitian and satisfy relevant sum rules. 
 We demonstrate that in the presence of spin-orbit coupling a correct mappi
 ng from the density functional total energy to a spin model that relies on
  the rotation of the exchange field part of the Hamiltonian cannot be acco
 unted for by transforming the full Hamiltonian. We derive a set of sum rul
 es that pose stringent validity tests on any specific calculation. We show
 case the flexibility and accuracy of the method by computing the exchange 
 and anisotropy tensors of both well-studied magnetic nanostructures and of
  recently synthesized two-dimensional magnets. Specifically\, we benchmark
  our approach against the established Korringa-Kohn-Rostoker Green's funct
 ion method and show that they agree well. Finally\, we demonstrate how the
  application of biaxial strain on the two-dimensional magnet T−CrTe2 can
  trigger a magnetic phase transition.
GEO:39.681038;-75.752869
LOCATION:Sharp Lab\, 215
SUMMARY:CMP Seminar - Dr. Zoltán Tajkov\, Eötvös University
URL;VALUE=URI:https://events.udel.edu/event/cmp-seminar-dr-zoltan-tajkov-eo
 tvos-university
CATEGORIES:Academics
CATEGORIES:Faculty & Staff
CATEGORIES:Grad Students & Postdocs
END:VEVENT
END:VCALENDAR