У оквиру радионице HIP-2D-QM Fall Workshop 2026, у четвртак, 22. октобра 2026. године у 11 часова у читаоници библиотеке „Др Драган Поповић“ Института за физику у Београду, др Дарко Танасковић (Институт за физику у Београду) одржаће предавање:
First-principles calculations of the electronic structure and spectra of strongly correlated materials: DFT + embedded DMFT approach
САЖЕТАК:
Dynamical mean-field theory (DMFT) was developed in the early 1990s providing a correct description of the Mott metal-insulator transition in the Hubbard model. When combined with density functional theory (DFT), it later emerged as a unique method for the quantitative description of the spectroscopic and transport properties of materials whose valence electrons are in between itinerant and fully localized [1]. We will first overview the theory behind the DFT+DMFT method and then, following the work of K. Haule and his collaborators [2], we will illustrate its success in studies of iron-based superconductors and rare-earth nickelates.
[1] Gabriel Kotliar and Dieter Vollhardt, Strongly Correlated Materials: Insights From Dynamical Mean-Field Theory, Physics Today 57, 53 (2004).
[2] Kristjan Haule, Tutorials for the DFT+embedded DMFT Functional, 2007-2024, http://hauleweb.rutgers.edu/tutorials/index.html