Artificially lattice-mismatched graphene/metal interface: Graphene/Ni/Ir(111)

Pacilé, D.; Leicht, Philipp; Papagno, M.; Sheverdyaeva, P. M.; Moras, Paolo; Carbone, C.; Krausert, Konstantin; Zielke, Lukas; Fonin, Mikhail; Dedkov, Yuriy; Mittendorfer, Florian; Doppler, J.; Garhofer, Andreas; Redinger, Josef

doi:10.1103/physrevb.87.035420

Cited by 55 publications

(91 citation statements)

References 39 publications

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“…For the present case of Co intercalation in graphene/Ir(111) [21][22][23][24], a considerable lattice mismatch occurs, similar to the case of an intercalated Ni layer [25], which on the one hand gives the opportunity to examine the electronic structure of thin metallic films under tensile stress, but also necessitates a close examination of the growth mode at the monolayer stage and beyond. Here we use C 1s and Ir 4f core-level photoemission to study the thickness and temperature dependence of Co interaction with graphene/Ir(111).…”

Section: B Resultsmentioning

confidence: 92%

“…We performed a separate experiment using Ni as intercalant, and assign this line, in analogy with the case of intercalated Ni, to the different adsorption geometries of the carbon atoms. Furthermore, investigating the properties of the graphene/Ni/Ir(111) system, Pacile et al [25] observe a strong asymmetry towards lower binding energy in the C 1s line shape, which indicates the presence of a second component as well. The fact that the spectra presented in [25] were measured at room temperature with lower resolution, whereas the spectra in Fig.…”

Section: B Resultsmentioning

confidence: 99%

“…Furthermore, investigating the properties of the graphene/Ni/Ir(111) system, Pacile et al [25] observe a strong asymmetry towards lower binding energy in the C 1s line shape, which indicates the presence of a second component as well. The fact that the spectra presented in [25] were measured at room temperature with lower resolution, whereas the spectra in Fig. 1(a) were measured with high resolution at low temperature (T = 90 K), could account for the line shape with two clearly resolved components in the latter case.…”

Section: B Resultsmentioning

confidence: 99%

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Electronic structure and magnetic properties of cobalt intercalated in graphene on Ir(111)

et al. 2014

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Using a combination of photoemission and x-ray magnetic circular dichroism (XMCD), we characterize the growth and the electronic as well as magnetic structure of cobalt layers intercalated in between graphene and Ir(111). We demonstrate that magnetic ordering exists beyond one monolayer intercalation, and determine the Co orbital and spin magnetic moments. XMCD from the carbon edge shows an induced magnetic moment in the graphene layer, oriented antiparallel to that of cobalt. The XMCD experimental data are discussed in comparison to our results of first-principles electronic structure calculations. It is shown that good agreement between theory and experiment for the Co magnetic moments can be achieved when the local-spin-density approximation plus the Hubbard U (LSDA + U ) is used.

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Section: B Resultsmentioning

confidence: 92%

Section: B Resultsmentioning

confidence: 99%

Section: B Resultsmentioning

confidence: 99%

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Electronic structure and magnetic properties of cobalt intercalated in graphene on Ir(111)

et al. 2014

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“…In order to grow G on FM, carbon segregation or chemical vapor deposition (CVD) of hydrocarbons on single crystals have been used so far [17][18][19]. Alternatively, single layers of Ni or Co atoms have been intercalated underneath G grown on Ir(111) [20,21], with the benefit of tailoring the structural properties at the interface. The bare G/Ir(111) system has been studied with several methods, all describing * daniela.pacile@fis.unical.it a gently rippled moiré superstructure where carbon atoms interact very weakly with the underlaying metal, thus keeping an almost unperturbed graphene π band [22].…”

Section: Introductionmentioning

confidence: 99%

Electronic structure of graphene/Co interfaces

et al. 2014

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Photoemission, from core levels and valence band, and low-energy electron diffraction (LEED) have been employed to investigate the electronic and structural properties of novel graphene-ferromagnetic (G-FM) systems,\ud obtained by intercalation of one mono-layer (1ML) and several layers (4ML) of Co on G grown on Ir(111).\ud Upon intercalation of 1ML of Co, the Co lattice is resized to match the Ir-Ir lattice parameter, resulting in a\ud mismatched G/Co/Ir(111) system. The intercalation of further Co layers leads to a relaxation of the Co lattice\ud and a progressive formation of a commensurate G layer lying on top. We show the C 1s line shape and the band\ud structure of G in the two artificial phases, mismatched and commensurate G/Co, through a comparison with the\ud electronic structure of G grown directly on a Co thick film. Our results show that while the G valence band\ud mainly reflects the hybridization with the d states of Co, regardless of the structural phase, the C 1s line shape\ud is very sensitive to the rumpling of the G layer and the coordination of carbon atoms with the underlying Co.\ud Even in the commensurate (1x1) G/Co phase, where graphene is in register with the Co film, from the angular\ud dependence of the C 1s core level we infer the presence of a double component, due to in-equivalent adsorption\ud sites of carbon sub-lattices

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“…Recent papers have shown that interface properties highly depend on the lattice matching 65 or interface chemistry. 66 At Mg/MgH 2 interfaces, the Mg-H bonding is the most important bonding that leads to interface stability.…”

Section: The Search Of Relative Position Of Two Phasesmentioning

confidence: 99%

Modeling and stabilities of Mg/MgH2 interfaces: A first-principles investigation

et al. 2014

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We have theoretically investigated the modeling and the structural stabilities of various Mg/MgH2 interfaces, i.e. Mg($10\bar 10$101¯0)/MgH2(210), Mg(0001)/MgH2(101) and Mg($10\bar 10$101¯0)/MgH2(101), and provided illuminating insights into Mg/MgH2 interface. Specifically, the main factors, which impact the interfacial energies, are fully considered, including surface energies of two phases, mutual lattice constants of interface model, and relative position of two phases. The surface energies of Mg and MgH2, on the one hand, are found to be greatly impacting the interfacial energies, reflected by the lowest interfacial energy of Mg(0001)/MgH2(101) which is comprised of two lowest energy surfaces. On the other hand, it is demonstrated that the mutual lattice constants and the relative position of two phases lead to variations of interfacial energies, thus influencing the interface stabilities dramatically. Moreover, the Mg-H bonding at interface is found to be the determinant of Mg/MgH2 interface stability. Lastly, interfacial and strain effects on defect formations are also studied, both of which are highly facilitating the defect formations. Our results provide a detailed insight into Mg/MgH2 interface structures and the corresponding stabilities.

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Artificially lattice-mismatched graphene/metal interface: Graphene/Ni/Ir(111)

Cited by 55 publications

References 39 publications

Electronic structure and magnetic properties of cobalt intercalated in graphene on Ir(111)

Electronic structure and magnetic properties of cobalt intercalated in graphene on Ir(111)

Electronic structure of graphene/Co interfaces

Modeling and stabilities of Mg/MgH2 interfaces: A first-principles investigation

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