Edge reconstruction induces magnetic and metallic behavior in zigzag graphene nanoribbons - Condensed Matter > Materials ScienceReportar como inadecuado




Edge reconstruction induces magnetic and metallic behavior in zigzag graphene nanoribbons - Condensed Matter > Materials Science - Descarga este documento en PDF. Documentación en PDF para descargar gratis. Disponible también para leer online.

Abstract: The edge reconstruction of zigzag graphene nanoribbons to a stable line ofalternatively fused seven and five membered rings with hydrogen passivation hasbeen studied within density functional theory with both localized and extendedbasis approximations. Reconstruction of both edges results in a nonmagneticmetallic ground state, whereas the one edge reconstruction stabilizes thesystem in a ferromagnetic metallic ground state. The reconstructed edgesuppresses the local spin density of atoms and contributes finite density ofstates at Fermi energy. Our study paves a new way to fabricate the metallicelectrodes for semiconducting graphene devices with full control over themagnetic behavior without any lattice mismatch between leads and the channel.



Autor: Sudipta Dutta, Swapan K. Pati

Fuente: https://arxiv.org/



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