paper

Correlation Driven Magnetic Frustration and Insulating Behavior of TiF

arXiv:2310.12645 · doi:10.1002/pssr.202300330

Abstract

We investigate the halide perovskite TiF, renowned for its intricate interplay between structure, electronic correlations, magnetism, and thermal expansion. Despite its simple structure, understanding its low-temperature magnetic behavior has been a challenge. Previous theories proposed antiferromagnetic ordering. In contrast, experimental signatures for an ordered magnetic state are absent down to 10~K. Our current study has successfully reevaluated the theoretical modeling of TiF, unveiling the significance of strong electronic correlations as the key driver for its insulating behavior and magnetic frustration. In addition, our frequency-dependent optical reflectivity measurements exhibit clear signs of an insulating state. Analysis of the calculated magnetic data gives an antiferromagnetic exchange coupling with a net Weiss temperature of order 25~K as well as a magnetic response consistent with a =1/2 local moment per Ti. Yet, the system shows no susceptibility peak at this temperature scale and appears free of long-range antiferromagnetic order down to 1~K. Extending ab initio modeling of the material to larger unit cells shows a tendency for relaxing into a non-collinear magnetic ordering, with a shallow energy landscape between several magnetic ground states, promoting the status of this simple, nearly cubic perovskite structured material as a candidate spin liquid.

arXiv comment6 pages, 5 figures

References in corpus (5)