Modulation of the electronic properties and spin polarization of 2H VS2 nanoribbons by tuning ribbon widths and edge decoration

Abstract

The band structures and spin-polarization characteristics of armchair and zigzag VS₂ nanoribbons with different terminated edges are investigated based on density functional theory (DFT) calculations with a spin polarized meta-GGA. The results reveal that zigzag 2H VS₂ nanoribbons exhibit metal, half-metal, or semiconductor electrical characteristics with different edge decorations or ribbon widths. And the spin polarized ratio can achieve 100% self-polarization for the zigzag VS₂ nanoribbons with V atom edges. The Curie temperatures (T_C) estimated by mean field approximation simulations for the zigzag 2H VS₂ nanoribbons with terminated edges of V systems are 276 K. These preliminary findings offer an effective treatment option for controllable and adjustable spintronic devices.