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Related papers: Cooperative domain type interlayer $sp^3$-bond for…

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We computed the inter-layer bonding properties of graphite using an ab-initio many body theory. We carried out variational and diffusion quantum Monte Carlo calculations and found an equilibrium inter-layer binding energy in good agreement…

Materials Science · Physics 2015-05-14 Leonardo Spanu , Sandro Sorella , Giulia Galli

We propose a two-pulse excitation to efficiently photoinduced a novel $sp^3$-bonded nano-domain with a frozen shear in a graphite crystal. This $sp^3$ structure is known to be well stabilized by shear displacement between neighboring two…

Materials Science · Physics 2010-12-30 Keita Nishioka , Keiichiro Nasu , Kenji Yonemitsu

In graphene moir\'e superlattices, electronic interactions between layers are mostly hidden as band structures get crowded because of folding, making their interpretation cumbersome. Here, the evolution of the electronic band structure as a…

Mesoscale and Nanoscale Physics · Physics 2021-09-01 Francisco Sanchez-Ochoa , Andres Botello-Mendez , Cecilia Noguez

By means of Density Functional Theory calculations we evaluate several lithium carbonate - graphite interface models as a prototype of the Solid Electrolyte Interphase capping layer on graphite anodes in lithium-ion batteries. It is found…

Materials Science · Physics 2016-12-06 Elena Zvereva , Damien Caliste , Pascal Pochet

Although not an intrinsic superconductor, it has been long--known that, when intercalated with certain dopants, graphite is capable of exhibiting superconductivity. Of the family of graphite--based materials which are known to superconduct,…

Superconductivity · Physics 2016-08-16 Gabor Csányi , P. B. Littlewood , A. H. Nevidomskyy , Chris J. Pickard , B. D. Simons

Monolayer epitaxial graphene is an appropriate candidate for a wide variety of electronic and optical applications. One advantage of growing graphene on the Si face of SiC is that it develops as a single crystal, as does the layer…

In this letter, we study the stability of the domain model for lithium intercalated graphite in stages III and II by means of Density Functional Theory and Kinetic Lattice Monte Carlo simulations. We find that the domain model is either…

Motivated by the recent discovery of superconductivity in Ca- and Yb-intercalated graphite (CaC$_{6}$ and YbC$_{6}$) and from the ongoing debate on the nature and role of the interlayer state in this class of compounds, in this work we…

Superconductivity · Physics 2016-08-14 Lilia Boeri , Giovanni B. Bachelet , Matteo Giantomassi , Ole K. Andersen

We explore the electronic ground states of Bernal-stacked multilayer graphenes using the Hartree-Fock mean-field approximation and the full-parameter band model. We find that the electron-electron interaction tends to open a band gap in…

Mesoscale and Nanoscale Physics · Physics 2017-07-05 Mikito Koshino , Kyoka Sugisawa , Edward McCann

Via a novel experiment, Liu \emph{et al.} [Phys. Rev. B, {\bf 85}, 205418 (2012)] estimated the graphite binding energy, specifically the cleavage energy, an important physical property of bulk graphite. We re-examine the data analysis and…

Materials Science · Physics 2013-12-13 Tim Gould , Ze Liu , Jefferson Zhe Liu , John F. Dobson , Quanshui Zheng , S. Lebègue

Despite interlayer binding energy is one of the most important material properties for graphite, there is still lacking report on its direct experimental determination. In this paper, we present a novel experimental method to directly…

Mesoscale and Nanoscale Physics · Physics 2013-05-30 Ze Liu , Jefferson Zhe Liu , Yao Cheng , Quanshui Zheng

Computer experiments concerning interactions between a graphite surface and the rigid pyramidal nanoasperity of a friction force microscope tip when it is brought close to and retracted from the graphitic sample are presented. Covalent…

Statistical Mechanics · Physics 2010-10-19 A. V. Khomenko , N. V. Prodanov

Graphitization of the 6H-SiC(0001) surface as a function of annealing temperature has been studied by ARPES, high resolution XPS, and LEED. For the initial stage of graphitization - the 6root3 reconstructed surface - we observe sigma-bands…

Materials Science · Physics 2007-05-23 K. V. Emtsev , Th. Seyller , F. Speck , L. Ley , P. Stojanov , J. D. Riley , R. G. C. Leckey

We introduce effective field theories for the electronic properties of graphene in terms of relativistic fermions propagating in 2+1 dimensions, and outline how strong inter-electron interactions may be modelled by numerical simulation of a…

Strongly Correlated Electrons · Physics 2015-01-09 Simon Hands , Wes Armour , Costas Strouthos

We present an exact treatment of layered many-body electronic systems in the presence of interlayer coupling within the Schwinger functional derivative approach on the Keldysh contour. Our transparent approach allows us to clarify the…

Strongly Correlated Electrons · Physics 2020-07-01 Christopher Lane

The tight-binding model is closely associated with the modified layer-based random-phase approximation to thoroughly investigate the electron-electron interactions in sliding bilayer graphene. The Coulomb interactions and intralayer and…

Mesoscale and Nanoscale Physics · Physics 2023-03-13 Chiun-Yan Lin , Ming-Fa Lin

We have experimentally investigated the expansion mechanism induced by laser irradiation of H2SO4 intercalated graphite. Intercalated graphite materials irradiated by laser allows to study reactions occurring in confined chemical…

Materials Science · Physics 2014-07-24 G. Carotenuto , A. Longo , L. Nicolais , S. De Nicola , E. Pugliese , M. Ciofini , M. Locatelli , A. Lapucci , R. Meucci

Many intercalation compounds possess layered structures or inter-penetrating lattices that enable phase separation into three or more stable phases, or "stages," driven by competing intra-layer and inter-layer forces. While these structures…

Chemical Physics · Physics 2017-06-27 Raymond B. Smith , Edwin Khoo , Martin Z. Bazant

Multi-layer graphene on the carbon face of silicon carbide is an intriguing electronic system which typically consists of a stack of ten or more layers. Rotational stacking faults in this system dramatically reduce inter-layer coherence. In…

Mesoscale and Nanoscale Physics · Physics 2010-09-01 Rosario E. V. Profumo , Marco Polini , Reza Asgari , Rosario Fazio , A. H. MacDonald

Moir\'e lattices created in two-dimensional heterostructures exhibit rich many-body physics of interacting electrons and excitons and, at the same time, suggest promising optoelectronic applications. Here, we study the cooperative radiance…

Quantum Physics · Physics 2025-05-14 Jan Kumlin , Ajit Srivastava , Thomas Pohl
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