Ab initio study of the structural, electronic, magnetic, and optical properties of silicene nanoribbons
Articolo
Data di Pubblicazione:
2019
Citazione:
Ab initio study of the structural, electronic, magnetic, and optical properties of silicene nanoribbons / M. Ferri, G. Fratesi, G. Onida, A. Debernardi. - In: PHYSICAL REVIEW. B. - ISSN 2469-9950. - 99:8(2019 Feb 11), pp. 085414.085414-1-085414.085414-11. [10.1103/PhysRevB.99.085414]
Abstract:
We present first-principles calculations of structural, electronic, magnetic, and optical properties of zigzagoriented silicene nanoribbons, which, being endowed with spin-polarized edge states, are promising candidates
as building blocks of future spintronic devices. The minimal width for a structurally stable planar structure
having zigzag edges corresponds to a 4-chain ribbon, whose ground state presents antiferromagnetically coupled
spin-polarized edges, and a lattice parameter along the nanoribbon axis contracted (∼5%) with respect to the
bulk value. Starting from the dependence of structural and electronic properties on the ribbon width, we present
theoretical predictions for the optical spectra of narrow nanoribbons, in which excitonic effects are relevant
due to the confinement in a quasi-one-dimensional structure. Especially for light polarized parallel to the
ribbon axis, we find significant differences in the position of optical absorption peaks of ribbons with ferroor antiferromagnetically coupled edges, showing that optical spectra can be used as a fingerprint of the magnetic
coupling of electronic edge states.
Tipologia IRIS:
01 - Articolo su periodico
Keywords:
silicene; nanoribbons; ab-initio; optical properties
Elenco autori:
M. Ferri, G. Fratesi, G. Onida, A. Debernardi
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