High temperature antiferromagnetism in ultrathin SrRu2O6 nanosheets

TL;DR

This study demonstrates that ultrathin SrRu2O6 nanosheets can maintain robust antiferromagnetic order above room temperature, with potential for quantum technology applications, and explores the effects of doping on their magnetic properties.

Contribution

First-principles calculations and simulations reveal high-temperature antiferromagnetism in 2D SrRu2O6 nanosheets and analyze doping effects on their magnetic behavior.

Findings

Néel temperature exceeds 430 K in nanosheets

Surface doping causes insulator-metal transition

Distinct magnetic mechanisms in electron- and hole-doped systems

Abstract

The quest for room-temperature nanoscale magnets remains a central challenge, driven by their promising applications in quantum technologies. Layered $4d$ and $5d$ transition metal oxides with high magnetic ordering temperatures offer significant potential in this context. We explore ultrathin \ce{SrRu2O6} nanosheets using first-principles calculations, complemented by the classical Heisenberg Monte Carlo simulations. Remarkably, these nanosheets exhibit robust antiferromagnetic ordering with N\'eel temperatures exceeding 430 K, despite the enhanced spin fluctuations characteristic of two-dimensional systems. Surface-termination-induced intrinsic charge doping introduces complexity to the magnetism, resulting in an insulator-to-metal transition and renormalized N\'eel temperatures in doped systems. A detailed microscopic analysis reveals distinct mechanisms underlying the magnetic behavior in electron- and hole-doped nanosheets. These findings provide a foundation for advancing theoretical and experimental studies in the largely unexplored realm of correlated oxides at the two-dimensional limit.