Quantum fluctuations determine the spin-flop transition in hematite

TL;DR

This paper demonstrates that quantum fluctuations are essential for accurately describing the spin-flop transition in hematite, showing that quantum models outperform classical ones in predicting experimental results.

Contribution

The study applies quantum many-body techniques to an ab initio spin model, revealing the importance of quantum fluctuations in magnetic phase transitions.

Findings

Quantum treatment improves spin-flop field predictions.

Quantum fluctuations influence ground state selection.

Classical models are insufficient for low-temperature magnetic transitions.

Abstract

Magnetic phase transitions between ordered phases are often understood on the basis of semi-classical spin models. Deviations from the classical description due to the quantum nature of the atomic spins as well as quantum fluctuations are usually treated as negligible if long-range order is preserved, and are rarely quantified for actual materials. Here, we demonstrate that a fully quantum-mechanical framework is required for a quantitatively correct description of the spin-flop transition in the insulating altermagnet hematite between the collinear antiferromagnetic and the weakly ferromagnetic spin-flop phase at low temperature. By applying both exact diagonalization and density-matrix renormalization group theory to the quantum Heisenberg Hamiltonian, we show how a quantum-mechanical treatment of an ab initio parametrized spin model can significantly improve the predicted low-temperature spin-flop field over a classical description when compared to measurements. Our results imply that quantum fluctuations have a measurable influence on selecting the ground state of a system out of competing ordered magnetic phases at low temperature.