Half-metallicity in undoped and boron doped graphene nanoribbons in the presence of semilocal exchange-correlation interactions

Article Abstract:

The studies of the one dimensional zigzag edge graphene nanoribbons (ZGNRs) of different widths with edge passivation and with edge doping in the presence of a traverse electric field is reported. The half-metallic behavior exhibited by boron doped ZGNRs even in absence of an external electric field and sustained over a large temperature range might find application in spintronic devices.

All Other Basic Inorganic Chemical Manufacturing, Boron & Compounds, Industrial inorganic chemicals, not elsewhere classified, Electric properties, Electric fields, Boron compounds, Metallic elements

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Vanadium-benzimidazole-modified sDNA: a one-dimensional half-metallic ferromagnet

Article Abstract:

The article explains the various properties of the vanadium-stacked benzimidazole-modified single-stranded DNA (sDNA). These one-dimensional ferromagnets are found to exhibit half-metallic behavior.

Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), Biological Product (except Diagnostic) Manufacturing, Drugs, Deoxyribonucleic Acid, Uranium-radium-vanadium ores, Vanadium, DNA, Density functionals, Density functional theory, Mechanical properties, Spin coupling

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