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