2 papers
cond-mat.mtrl-sci2024
Interplay between ferroelectricity and metallicity in hexagonal YMnO
Tara N. Tosic, Yuting Chen, Nicola A. Spaldin
We use first-principles density functional theory to investigate how the polar distortion is affected by doping in multiferroic hexagonal yttrium manganite, h-YMnO. While the i…
cond-mat.mtrl-sci2022
Influence of the triangular Mn-O breathing mode on the magnetic ordering in multiferroic hexagonal manganites
Tara N. Tošić, Quintin N. Meier, Nicola A. Spaldin
We use a combination of symmetry analysis, phenomenological modelling and first-principles density functional theory to explore the interplay between the magnetic ground state and…