Tunable Half-Metallicity and Edge Magnetism of H-saturated InSe Nanoribbons
arXiv:1807.11715 · doi:10.1103/PhysRevMaterials.2.114001
Abstract
We report on a theoretical study of electronic and magnetic properties of hydrogen-saturated InSe nanoribbons (H-ZISNs). Based on hybrid-functional first-principles calculations, we find that H-ZISNs exhibit tunable half-metallicity and short-range ferromagnetic order. We first show that p-type doping turns narrow H-ZISNs from semimetal to half-metal with spin-polarization along In-terminated edge. This behavior is further analyzed in terms of a two-band tight-binding model, which provides a tractable description of the H-ZISN electronic structure, and serves as a starting point for the determination of magnetic interactions. The dominant exchange interaction determined within the Heisenberg model is found to be ferromagnetic independently of the ribbon width and charge doping. Short-range stability of magnetic order is assessed in terms of the zero-field spin correlation length, which is found to be about 1 nm at liquid nitrogen temperatures. Finally, by calculating spin-dependent transport properties, we find a doping regime in which strongly spin-selective electrical conductivities can be observed. Our findings suggest that H-ZISNs are appealing candidates for the realization of spintronic effects at the nanoscale.
References in corpus (18)
- Energy Gaps in Graphene Nanoribbons
- Half-Metallic Graphene Nanoribbons
- Maximally localized Wannier functions: Theory and applications
- High Electron Mobility, Quantum Hall Effect and Anomalous Optical Response in Atomically Thin InSe
- Environmental instability of few-layer black phosphorus
- Room temperature magnetic order on zigzag edges of narrow graphene nanoribbons
- Self-passivating edge reconstructions of graphene
- Magnetic Correlations at Graphene Edges
- Structure, Stability, Edge States and Aromaticity of Graphene Ribbons
- BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis
- Quantum Manifestations of Graphene Edge Stress and Edge Instability: A First-Principles Study
- Stability of edge states and edge magnetism in graphene nanoribbons
- Intrinsic Charge Carrier Mobility in Single-Layer Black Phosphorus
- Transport and Optical Properties of Single- and Bilayer Black Phosphorus with Defects
- Tunable Magnetic Semiconductor Behavior Driven by Half-Filled One Dimensional Band in Zigzag Phosphorene Nanoribbons
- Exchange interactions and frustrated magnetism in single-side hydrogenated and fluorinated graphene
- Excess energy and deformation along free edges of graphene nanoribbons
- Role of direct exchange and Dzyaloshinskii-Moriya interactions in magnetic properties of graphene derivatives: CF and CH