[Soft-matter] Soft Matter & Complex Systems Seminar on 12 Jan 2024

[Maciej Lisicki]

Dear Soft Matter & Complex Systems Colleagues and Friends,

On Friday 12 January 2024 at 9:30 AM at the UW Faculty of Physics (Pasteura 5, Warsaw; room 1.40) we are hosting a seminar during which 

Mateusz Wlazło (Centre of New Technologies, UW)

who will give a talk

Symmetry-breaking effects in pressure and temperature-induced metal-insulator transition in yttrium nickelate

Abstract

Focusing on the long-range ordered antiferromagnetic and paramagnetic YNiO3 phases, we show the interplay between spin and structural motifs under pressure and their impact on electronic properties. Within density functional theory, we successfully describe the two insulating phases of YNiO3, a perovskite oxide traditionally classified as a strongly correlated material. We attribute the role of specific symmetry-breaking motifs in phase transitions concurrent with band gap opening and closing. This way we demonstrate how DFT can be used to gain a fundamental understanding of phase transitions in quantum materials, and what minimum level of theory is needed to describe such types of complex materials correctly.

We warmly welcome everyone to attend the talk and the Soft Matter Coffee Break after the seminar, held in room 2.63 (2nd floor).

Maria Ekiel-Jeżewska
Maciej Lisicki
Piotr Szymczak
Panagiotis Theodorakis
Marek Trippenbach
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