Pseudo Dirac dispersion in Mn-intercalated graphene on SiC

M. Upadhyay Kahaly; Thaneshwor P. Kaloni; Udo Schwingenschlögl

doi:10.1016/j.cplett.2013.05.058

Pseudo Dirac dispersion in Mn-intercalated graphene on SiC

M. Upadhyay Kahaly, Thaneshwor P. Kaloni, Udo Schwingenschlögl

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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.

Original language	English (US)
Pages (from-to)	81-84
Number of pages	4
Journal	Chemical Physics Letters
Volume	578
DOIs	https://doi.org/10.1016/j.cplett.2013.05.058
State	Published - Jul 2013

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: We thank KAUST HPC for computational resources and SABIC for financial support.

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2013.05.058

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title = "Pseudo Dirac dispersion in Mn-intercalated graphene on SiC",

abstract = "The atomic and electronic structures of bulk C6Mn, bulk C 8Mn, and Mn-intercalated graphene on SiC(0 0 0 1) and SiC(000{\=1}) 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. {\textcopyright} 2013 Elsevier B.V. All rights reserved.",

author = "Kahaly, {M. Upadhyay} and Kaloni, {Thaneshwor P.} and Udo Schwingenschl{\"o}gl",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: We thank KAUST HPC for computational resources and SABIC for financial support.",

year = "2013",

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doi = "10.1016/j.cplett.2013.05.058",

language = "English (US)",

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pages = "81--84",

journal = "Chemical Physics Letters",

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T1 - Pseudo Dirac dispersion in Mn-intercalated graphene on SiC

AU - Kahaly, M. Upadhyay

AU - Kaloni, Thaneshwor P.

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: We thank KAUST HPC for computational resources and SABIC for financial support.

PY - 2013/7

Y1 - 2013/7

N2 - 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.

AB - 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.

UR - http://hdl.handle.net/10754/562841

UR - https://linkinghub.elsevier.com/retrieve/pii/S0009261413007124

UR - http://www.scopus.com/inward/record.url?scp=84879944626&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2013.05.058

DO - 10.1016/j.cplett.2013.05.058

M3 - Article

SN - 0009-2614

VL - 578

SP - 81

EP - 84

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Pseudo Dirac dispersion in Mn-intercalated graphene on SiC

Abstract

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