Cobalt-doped beta-peptide nanotubes: A class of spintronic materials
2008 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 77, no 15, 155407- p.Article in journal (Refereed) Published
We report a density functional theory based ab initio investigation of protein nanotubes formed by a stacking of beta-peptide rings. We have optimized the structure of beta-peptide rings arranged in a nanotube geometry. The calculated interatomic bond distances are found to agree with observations as is the equilibrium inter-ring separation. The electronic structure has been analyzed by calculating the density of states and band structures, which reveal wide band gap semiconducting properties of the tube. The possibility of doping beta-PNT (peptide nanotube) with transition metal atoms is found to be energetically possible, and Co-doped beta-PNT is found to be a strong ferromagnetic material, with relatively high ordering temperature and with impurity states just below the conduction band edge. This makes Co-doped beta-PNT a very good potential candidate as an n-doped material in spintronics applications.
Place, publisher, year, edition, pages
2008. Vol. 77, no 15, 155407- p.
Magnetic properties of nanostructures, Density functional theory, local density approximation, gradient and other corrections, Exchange interactions, Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals
IdentifiersURN: urn:nbn:se:uu:diva-110211DOI: 10.1103/PhysRevB.77.155407ISI: 000255457400105OAI: oai:DiVA.org:uu-110211DiVA: diva2:275549