Absence of Edge States in Covalently Bonded Zigzag Edges of Graphene on Ir(111)

The zigzag edges of graphene on Ir(111) are studied by ab initio simulations and low‐temperature scanning tunneling spectroscopy, providing information about their structural, electronic, and magnetic properties. No edge state is found to exist, which is explained in terms of the interplay between a...

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Published in:	Advanced materials (Weinheim) Vol. 25; no. 14; pp. 1967 - 1972
Main Authors:	Li, Yan, Subramaniam, Dinesh, Atodiresei, Nicolae, Lazić, Predrag, Caciuc, Vasile, Pauly, Christian, Georgi, Alexander, Busse, Carsten, Liebmann, Marcus, Blügel, Stefan, Pratzer, Marco, Morgenstern, Markus, Mazzarello, Riccardo
Format:	Journal Article
Language:	English
Published:	Weinheim WILEY-VCH Verlag 11.04.2013 WILEY‐VCH Verlag
Subjects:	Bonding Covalence Electronics Graphene Graphite - chemistry Iron - chemistry Magnetic properties Microscopy, Scanning Tunneling Nanostructures - chemistry Orbitals Quantum Theory Scanning tunneling microscopy Simulation
ISSN:	0935-9648, 1521-4095, 1521-4095
Online Access:	Get full text
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Abstract	The zigzag edges of graphene on Ir(111) are studied by ab initio simulations and low‐temperature scanning tunneling spectroscopy, providing information about their structural, electronic, and magnetic properties. No edge state is found to exist, which is explained in terms of the interplay between a strong geometrical relaxation at the edge and a hybridization of the d orbitals of Ir atoms with the graphene orbitals at the edge.
AbstractList	The zigzag edges of graphene on Ir(111) are studied by ab initio simulations and low‐temperature scanning tunneling spectroscopy, providing information about their structural, electronic, and magnetic properties. No edge state is found to exist, which is explained in terms of the interplay between a strong geometrical relaxation at the edge and a hybridization of the d orbitals of Ir atoms with the graphene orbitals at the edge. The zigzag edges of graphene on Ir(111) are studied by ab initio simulations and low-temperature scanning tunneling spectroscopy, providing information about their structural, electronic, and magnetic properties. No edge state is found to exist, which is explained in terms of the interplay between a strong geometrical relaxation at the edge and a hybridization of the d orbitals of Ir atoms with the graphene orbitals at the edge.The zigzag edges of graphene on Ir(111) are studied by ab initio simulations and low-temperature scanning tunneling spectroscopy, providing information about their structural, electronic, and magnetic properties. No edge state is found to exist, which is explained in terms of the interplay between a strong geometrical relaxation at the edge and a hybridization of the d orbitals of Ir atoms with the graphene orbitals at the edge.
Author	Blügel, Stefan Caciuc, Vasile Pauly, Christian Liebmann, Marcus Busse, Carsten Lazić, Predrag Mazzarello, Riccardo Georgi, Alexander Morgenstern, Markus Atodiresei, Nicolae Pratzer, Marco Li, Yan Subramaniam, Dinesh
Author_xml	– sequence: 1 givenname: Yan surname: Li fullname: Li, Yan organization: Institute for Theoretical Solid State Physics and JARA, RWTH Aachen University, 52074 Aachen, Germany – sequence: 2 givenname: Dinesh surname: Subramaniam fullname: Subramaniam, Dinesh organization: Physikalisches Institut B and JARA-FIT, RWTH Aachen University, 52074 Aachen, Germany – sequence: 3 givenname: Nicolae surname: Atodiresei fullname: Atodiresei, Nicolae organization: Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany – sequence: 4 givenname: Predrag surname: Lazić fullname: Lazić, Predrag organization: Massachusetts Institute of Technology, Cambridge, MA 02139, USA – sequence: 5 givenname: Vasile surname: Caciuc fullname: Caciuc, Vasile organization: Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany – sequence: 6 givenname: Christian surname: Pauly fullname: Pauly, Christian organization: Physikalisches Institut B and JARA-FIT, RWTH Aachen University, 52074 Aachen, Germany – sequence: 7 givenname: Alexander surname: Georgi fullname: Georgi, Alexander organization: Physikalisches Institut B and JARA-FIT, RWTH Aachen University, 52074 Aachen, Germany – sequence: 8 givenname: Carsten surname: Busse fullname: Busse, Carsten organization: Physikalisches Institut, Universität zu Köln, 50937 Köln, Germany – sequence: 9 givenname: Marcus surname: Liebmann fullname: Liebmann, Marcus organization: Physikalisches Institut B and JARA-FIT, RWTH Aachen University, 52074 Aachen, Germany – sequence: 10 givenname: Stefan surname: Blügel fullname: Blügel, Stefan organization: Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany – sequence: 11 givenname: Marco surname: Pratzer fullname: Pratzer, Marco organization: Physikalisches Institut B and JARA-FIT, RWTH Aachen University, 52074 Aachen, Germany – sequence: 12 givenname: Markus surname: Morgenstern fullname: Morgenstern, Markus organization: Physikalisches Institut B and JARA-FIT, RWTH Aachen University, 52074 Aachen, Germany – sequence: 13 givenname: Riccardo surname: Mazzarello fullname: Mazzarello, Riccardo email: mazzarello@physik.rwth-aachen.de organization: Institute for Theoretical Solid State Physics and JARA, RWTH Aachen University, 52074 Aachen, Germany
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Snippet	The zigzag edges of graphene on Ir(111) are studied by ab initio simulations and low‐temperature scanning tunneling spectroscopy, providing information about... The zigzag edges of graphene on Ir(111) are studied by ab initio simulations and low-temperature scanning tunneling spectroscopy, providing information about...
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StartPage	1967
SubjectTerms	Bonding Covalence Electronics Graphene Graphite - chemistry Iron - chemistry Magnetic properties Microscopy, Scanning Tunneling Nanostructures - chemistry Orbitals Quantum Theory Scanning tunneling microscopy Simulation
Title	Absence of Edge States in Covalently Bonded Zigzag Edges of Graphene on Ir(111)
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