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We investigate the role of architected thin films in the interfacial failure properties of bi-layer composites. Our results show that, while graded structures can be used to prescribe failure at the interface, they do not offer significant…

Materials Science · Physics 2026-03-10 Christian Greff , Leon Pyka , Michael Zaiser , Paolo Moretti

We present a scanning tunneling microscopy (STM) study of a gently-graphitized 6H-SiC(0001) surface in ultra high vacuum. From an analysis of atomic scale images, we identify two different kinds of terraces, which we unambiguously attribute…

Recently the graphene/SiC interface has emerged as a versatile platform for the epitaxy of otherwise unstable, monoelemental, two-dimensional (2D) layers via intercalation. Intrinsically capped into a van der Waals heterostructure with…

Mesoscale and Nanoscale Physics · Physics 2022-06-23 Philipp Rosenzweig , Hrag Karakachian , Dmitry Marchenko , Ulrich Starke

The morphology of graphene on SiC {0001} surfaces formed in various environments including ultra-high vacuum, 1 atm of argon, and 10^-6 to 10^-4 Torr of disilane is studied by atomic force microscopy, low-energy electron microscopy, and…

Materials Science · Physics 2015-05-30 N. Srivastava , Guowei He , Luxmi , P. C. Mende , R. M. Feenstra , Yugang Sun

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

The electronic structure and structural evolution of hydrogenated graphene are investigated by Raman spectroscopy with multiple excitations. The excitation energy dependent saturation effect on the ratio of integrated intensities of D and G…

Materials Science · Physics 2010-12-06 Zhiqiang Luo , Ting Yu , Zhenhua Ni , Sanhua Lim , Jingzhi Shang , Hailong Hu , Lei Liu , Zexiang Shen , Jianyi Lin

Monolayer and multilayer graphene are promising materials for applications such as electronic devices, sensors, energy generation and storage, and medicine. In order to perform large-scale atomistic simulations of the mechanical and thermal…

Materials Science · Physics 2019-11-27 Mingjian Wen , Ellad B. Tadmor

The reflectivity of low energy electrons from graphene on copper substrates is studied both experimentally and theoretically. Well-known oscillations in the reflectivity of electrons with energies 0 - 8 eV above the vacuum level are…

Mesoscale and Nanoscale Physics · Physics 2015-06-15 N. Srivastava , Qin Gao , M. Widom , R. M. Feenstra , Shu Nie , K. F. McCarty , I. V. Vlassiouk

We study the electronic and transport properties of a graphene-based superlattice theoretically by using an effective Dirac equation. The superlattice consists of a periodic potential applied on a single-layer graphene deposited on a…

Mesoscale and Nanoscale Physics · Physics 2015-02-26 Jonas R. F. Lima

Graphene has shown great application potentials as the host material for next generation electronic devices. However, despite its intriguing properties, one of the biggest hurdles for graphene to be useful as an electronic material is its…

In the present study we investigate the irradiation-defects hybridized graphene scaffold as one potential building material for the anode of Li-ion batteries. Designating the Wigner V22 defect as a representative, we illustrate the…

Materials Science · Physics 2015-03-10 J. Song , B. Ouyang , N. V. Medhekar

Image potential states (IPSs) are electronic states localized in front of a surface in a potential well formed by the surface projected bulk band gap on one side and the image potential barrier on the other. In the limit of a…

We introduce a Gaussian approximation potential (GAP) for atomistic simulations of liquid and amorphous elemental carbon. Based on a machine-learning representation of the density-functional theory (DFT) potential-energy surface, such…

Materials Science · Physics 2017-03-08 Volker L. Deringer , Gábor Csányi

Graphene has many unique properties that make it an ideal material for fundamental studies as well as for potential applications. Here we review the recent results on the Raman spectroscopy and imaging of graphene. Raman spectroscopy and…

Materials Science · Physics 2008-10-17 Zhen hua Ni , Ying ying Wang , Ting Yu , Ze xiang Shen

Density functional theory calculations have been performed to study the structures and energetics of coherent and semicoherent TiC/Fe interfaces. A systematic method for determining the interfacial energy for the semicoherent interface with…

Materials Science · Physics 2018-04-10 Song Lu , John Ågren , Levente Vitos

The results of micro-Raman scattering measurements performed on three different ``graphitic'' materials: micro-structured disks of highly oriented pyrolytic graphite, graphene multi-layers thermally decomposed from carbon terminated surface…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 C. Faugeras , A. Nerriere , M. Potemski , A. Mahmood , E. Dujardin , C. Berger , W. A. de Heer

First-principles calculations of the effect of carbon coverage on the atomic, electronic and magnetic structure of nickel and iron substrates demonstrate insignificant changes in the interatomic distances and magnetic moments on the atoms…

Materials Science · Physics 2014-12-24 D. W. Boukhvalov , Yu. N. Gornostyrev , M. A. Uimin , A. V. Korolev , A. Ye Yermakov

We propose a natural way to create quantum-confined regions in graphene in a system that allows large-scale device integration. We show, using first-principles calculations, that a single graphene layer on a trenched region of…

Materials Science · Physics 2010-10-11 Matheus P. Lima , A. R. Rocha , Antônio J. R. da Silva , A. Fazzio

We investigate the band structure and topological phases of silicene embedded on halogenated Si(111) surface, by virtue of density functional theory and tight-binding calculations.Our results show that the Dirac character of low energy…

Mesoscale and Nanoscale Physics · Physics 2018-03-07 Vahid Derakhshan , Ali G. Moghaddam , Davide Ceresoli

Low-energy reflectivity of electrons from single- and multi-layer graphene is examined both theoretically and experimentally. A series of minima in the reflectivity over the energy range of 0 - 8 eV are found, with the number of minima…

Mesoscale and Nanoscale Physics · Physics 2013-02-01 R. M. Feenstra , N. Srivastava , Qin Gao , M. Widom , Bogdan Diaconescu , Taisuke Ohta , G. L. Kellogg , J. T. Robinson , I. V. Vlassiouk