Nonmagnetic Ground State of Rutile RuO$_2$ from Diffusion Quantum Monte Carlo

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Authors: Jeonghwan Ahn, Seoung-Hun Kang, Panchapakesan Ganesh, Jaron T. Krogel
Cited by: 1

Abstract

Rutile RuO$_2$ has been proposed as an altermagnet, but its bulk magnetic ground state is still under debate because density-functional calculations give conflicting predictions. Using fixed-node diffusion quantum Monte Carlo, we find that stoichiometric bulk RuO$_2$ is nonmagnetic in the pristine structure, lying 23(9) meV per formula unit below the lowest antiferromagnetic state considered. A 3$\%$ compressive strain instead stabilizes antiferromagnetism, placing RuO$_2$ near a strain-tunable magnetic instability and helping reconcile apparently conflicting experimental reports.

Fields of Study & Subjects

Heusler alloys: electronic and magnetic properties Chemical and Physical Properties of Materials Advanced Condensed Matter Physics

Publication details

Journal / source
arXiv (Cornell University)
Publication date
17 March 2026
Document type
Preprint