uu.seUppsala University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Cobalt-doped beta-peptide nanotubes: A class of spintronic materials
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Biochemistry and Organic Chemistry.
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
Abstract [en]

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.
Keyword [en]
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
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-110211DOI: 10.1103/PhysRevB.77.155407ISI: 000255457400105OAI: oai:DiVA.org:uu-110211DiVA: diva2:275549
Available from: 2009-11-05 Created: 2009-11-05 Last updated: 2017-01-25Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Authority records BETA

Sanyal, BiplabEriksson, Olle

Search in DiVA

By author/editor
Sanyal, BiplabEriksson, Olle
By organisation
Department of PhysicsDepartment of Biochemistry and Organic Chemistry
In the same journal
Physical Review B. Condensed Matter and Materials Physics
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 497 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf