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Wilhelm, J. ; Walz, M. ; Evers, F.

Ab initio spin-flip conductance of hydrogenated graphene nanoribbons: spin- orbit interaction and scattering with local impurity sites

Article

Wilhelm, J., Walz, M. and Evers, F. (2015) Ab initio spin-flip conductance of hydrogenated graphene nanoribbons: spin- orbit interaction and scattering with local impurity sites. Physical Review B (PRB) (92), 014405.

DOI to cite this document: 10.5283/epub.33560


Abstract

We calculate the spin-dependent zero-bias conductance G(sigma sigma ') in armchair graphene nanoribbons with hydrogen adsorbates employing a DFT-based ab initio transport formalism including spin-orbit interaction. We find that the spin-flip conductance G(sigma(sigma) over bar) can reach the same order of magnitude as the spin-conserving one G(sigma sigma), due to exchange-mediated spin scattering. In contrast, the genuine spin-orbit interaction appears to play a secondary role, only.



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Details

Item typeArticle
Journal or Publication TitlePhysical Review B (PRB)
PublisherAMER PHYSICAL SOC
Open Access TypeDue to SHERPA/RoMEO
Place of PublicationCOLLEGE PK
Number of Issue or Book Chapter92
Page Range014405
Date2015
Date of publication23 Mar 2016 10:50
InstitutionsPhysics > Institute of Theroretical Physics > Chair Ferdinand Evers
Identification Number
ValueType
10.1103/PhysRevB.92.014405DOI
KeywordsELECTRON-GAS; BASIS-SETS; TRANSPORT; EDGE; ATOMS; FUNCTIONALIZATION; APPROXIMATION; ENERGY; STATE;
Dewey Decimal Classification500 Science > 530 Physics
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgYes
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-335608
Item ID33560

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