Electric-Field and Doping-Induced Non collinear Magnetic Interactions in Monolayer Ti$_2$Si

TL;DR

This study explores how electric fields and doping influence magnetic interactions in monolayer Ti2Si, revealing pathways to engineer chiral magnetic textures in 2D silicides through chemical modifications.

Contribution

It demonstrates that doping with Pt and Co breaks symmetry and induces Dzyaloshinskii-Moriya interactions, enabling control over chiral magnetic properties in Ti2Si monolayers.

Findings

Pristine Ti2Si is a stable ferromagnetic metal with in-plane anisotropy.

Pt doping introduces strong SOC and breaks inversion symmetry, inducing DMI.

Pt0.5CoTi0.5Si exhibits the strongest chiral interaction with opposite rotation senses in different contributions.

Abstract

Two-dimensional (2D) silicides are an emerging class of materials whose magnetic and relativistic properties remain largely unexplored. Using first-principles calculations, we investigate how electric-field modulation and transition-metal doping influence the magnetic exchange, magnetocrystalline anisotropy, and antisymmetric Dzyaloshinskii-Moriya interaction (DMI) in monolayer Ti2Si. Pristine Ti2Si is a dynamically stable ferromagnetic metal with in-plane anisotropy and centrosymmetric bonding, which suppresses DMI even under strong perpendicular electric fields. To overcome this symmetry constraint, we introduce Pt and Co substitution at Ti sites. Co enhances the magnetic exchange, whereas Pt provides strong spin orbit coupling (SOC), and the combined chemical asymmetry breaks inversion symmetry sufficiently to induce a sizable DMI. A Wannier-based tight-binding model captures the orbital-resolved superexchange pathways and reveals a clear hierarchy between a weak Si-mediated channel and a dominant Pt-mediated interlayer channel. First-principles calculations confirm that the Pt-assisted pathway governs the magnitude and sign of the total DMI. Among all configurations, Pt0.5CoTi0.5Si exhibits the strongest chiral interaction, with its intralayer and interlayer contributions favoring opposite rotation senses, namely counterclockwise (CCW) and clockwise (CW). Our results establish chemically engineered Ti2Si monolayers as a promising platform for realizing and tuning chiral magnetic textures in 2D silicides.