Pseudo Dirac dispersion in Mn-intercalated graphene on SiC

Handle URI:
http://hdl.handle.net/10754/562841
Title:
Pseudo Dirac dispersion in Mn-intercalated graphene on SiC
Authors:
Kahaly, M. Upadhyay; Kaloni, Thaneshwor P.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
The atomic and electronic structures of bulk C6Mn, bulk C 8Mn, and Mn-intercalated graphene on SiC(0 0 0 1) and SiC(0001̄) are investigated by density functional theory. We find for both configurations of Mn-intercalated graphene a nonmagnetic state, in agreement with the experimental situation for SiC(0 0 0 1), and explain this property. The electronic structures around the Fermi energy are dominated by Dirac-like cones at energies consistent with data from angular resolved photoelectron spectroscopy [Gao et al., ACS Nano. 6 (2012) 6562]. However, our results demonstrate that the corresponding states trace back to hybridized Mn d orbitals, and not to the graphene. © 2013 Elsevier B.V. All rights reserved.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Elsevier BV
Journal:
Chemical Physics Letters
Issue Date:
Jul-2013
DOI:
10.1016/j.cplett.2013.05.058
Type:
Article
ISSN:
00092614
Sponsors:
We thank KAUST HPC for computational resources and SABIC for financial support.
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorKahaly, M. Upadhyayen
dc.contributor.authorKaloni, Thaneshwor P.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T11:12:18Zen
dc.date.available2015-08-03T11:12:18Zen
dc.date.issued2013-07en
dc.identifier.issn00092614en
dc.identifier.doi10.1016/j.cplett.2013.05.058en
dc.identifier.urihttp://hdl.handle.net/10754/562841en
dc.description.abstractThe atomic and electronic structures of bulk C6Mn, bulk C 8Mn, and Mn-intercalated graphene on SiC(0 0 0 1) and SiC(0001̄) are investigated by density functional theory. We find for both configurations of Mn-intercalated graphene a nonmagnetic state, in agreement with the experimental situation for SiC(0 0 0 1), and explain this property. The electronic structures around the Fermi energy are dominated by Dirac-like cones at energies consistent with data from angular resolved photoelectron spectroscopy [Gao et al., ACS Nano. 6 (2012) 6562]. However, our results demonstrate that the corresponding states trace back to hybridized Mn d orbitals, and not to the graphene. © 2013 Elsevier B.V. All rights reserved.en
dc.description.sponsorshipWe thank KAUST HPC for computational resources and SABIC for financial support.en
dc.publisherElsevier BVen
dc.titlePseudo Dirac dispersion in Mn-intercalated graphene on SiCen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalChemical Physics Lettersen
kaust.authorKahaly, M. Upadhyayen
kaust.authorKaloni, Thaneshwor P.en
kaust.authorSchwingenschlögl, Udoen
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