Strain-enhanced edge ferromagnetism and bipolar magnetic semiconducting behavior in Janus graphene nanoribbons

Abstract

Using first-principles density functional theory and determinant quantum Monte Carlo methods, we show that Janus graphene nanoribbons with topological defect arrays ($m=2$) exhibit robust intrinsic ferromagnetism across widths $W=2-6$, with bandgaps exceeding 200 $meV$ and stable ferromagnetic ground states. Notably, uniaxial tensile strain significantly enhances their ferromagnetic properties: at 25\% strain, the Curie temperature increases to $222K$, a fivefold improvement over unstrained systems and the highest reported for graphene-based nanoribbons. Strain also induces a reversible transition to a bipolar magnetic semiconductor, with spin-flipped valence and conduction band edges beyond 10\% strain. This dual functionality, strain-enhanced ferromagnetism and strain-induced spin flip, stems from strain-modulated $p_z$ orbital hybridization and strong direct exchange interaction. Among these, $W=5$ Janus graphene nanoribbons emerge as potential candidates for room-temperature spintronic devices and strain-programmable quantum transport systems.

Accepted for publication in publication in Physical Review B