2012
DOI: 10.1063/1.4716475
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A pathway between Bernal and rhombohedral stacked graphene layers with scanning tunneling microscopy

Abstract: Horizontal shifts in the top layer of highly oriented pyrolytic graphite, induced by a scanning tunneling microscope (STM) tip, are presented. Excellent agreement is found between STM images and those simulated using density functional theory. First-principle calculations identify that the low-energy barrier direction of the top layer displacement is toward a structure where none of the carbon p z orbitals overlap, while the high-energy barrier direction is toward AA stacking. Each directional shift yields a r… Show more

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Cited by 19 publications
(22 citation statements)
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References 27 publications
(29 reference statements)
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“…Scanning tunneling microscope (STM) images corresponding to the saddle configuration has been acquired during the tip-induced horizontal shift of the top layer in a graphite sample. 11,48 In agreement with our findings, this observation indicates that the saddle configuration (defined as the "no overlap" configuration by the authors of Ref . 11) is the configuration the top layer goes through in passing from one PES minima to another (i.e., from ABA to ABC stacking on graphite).…”
Section: Analysis Of the Potential Corrugationsupporting
confidence: 82%
See 1 more Smart Citation
“…Scanning tunneling microscope (STM) images corresponding to the saddle configuration has been acquired during the tip-induced horizontal shift of the top layer in a graphite sample. 11,48 In agreement with our findings, this observation indicates that the saddle configuration (defined as the "no overlap" configuration by the authors of Ref . 11) is the configuration the top layer goes through in passing from one PES minima to another (i.e., from ABA to ABC stacking on graphite).…”
Section: Analysis Of the Potential Corrugationsupporting
confidence: 82%
“…10 The important implications of this finding for a possible use of graphene in electronic devices have stimulated recent experimental studies on the horizontal shifting of graphene layers. 11 At the fundamental level, the mobility of one graphene layer onto another is governed by the shape of the potential energy surface (PES), which describes the interlayer interaction as a function of the relative position of two layers. In particular, the PES corrugation determines the intrinsic resistance to sliding 12 and the maximum energy that can be dissipated by frictional mechanisms.…”
Section: Introductionmentioning
confidence: 99%
“…Only one sublattice of graphene shows up in the image, a consequence of Bernal stacking. 6,33,34 As comparison, both sublattices are visible on twisted bilayer graphene (Figure 2(d)). The K-point energy in the scanning tunneling spectrum (STS) results in Figure 2(e) is within 50 meV of the Fermi level.…”
Section: Methodsmentioning
confidence: 99%
“…The advantage of the ESQC method lies in allowing for the simultaneous description of the surface, the adsorbates in the tunneling junction, the tip apex, and the tip bulk as well as the explicit treatment of the tunneling current. Even though DFT-TH provides good simulated images of bare layered substrates such as graphite and graphene [35,[40][41][42], we will show in the following that its accuracy is inferior to ESQC for coronene on graphene. We have therefore preferred the ESQC method for all subsequent STM calculations of PAHs on graphene.…”
Section: B Stm Image Calculationsmentioning
confidence: 99%