Electric-Field and Doping-Induced Non collinear Magnetic Interactions in Monolayer Ti$_2$Si
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| Format: | Preprint |
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2025
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| _version_ | 1866909940269973504 |
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| author | Rani, Dimple Panda, Gayatri Jana, Subrata Samal, Prasanjit |
| author_facet | Rani, Dimple Panda, Gayatri Jana, Subrata Samal, Prasanjit |
| contents | 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. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2512_02638 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Electric-Field and Doping-Induced Non collinear Magnetic Interactions in Monolayer Ti$_2$Si Rani, Dimple Panda, Gayatri Jana, Subrata Samal, Prasanjit Materials Science Other Condensed Matter 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. |
| title | Electric-Field and Doping-Induced Non collinear Magnetic Interactions in Monolayer Ti$_2$Si |
| topic | Materials Science Other Condensed Matter |
| url | https://arxiv.org/abs/2512.02638 |