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7 papers · 2 filters
Surface Loving and Surface Avoiding modes
Nicolas Combe, Jean Roch Huntzinger, Joseph Morillo
We theoretically study the propagation of sound waves in GaAs/AlAs superlattices focussing on periodic modes in the vicinity of the band gaps. Based on analytical and numerical cal…
Total electronic energy by tight binding approximation and experimental toughness of three different hybrid polymers
N. Olivi-Tran, A. Ferchichi, S. Calas +1
We computed by a modified tight binding approximation, the total electronic energy of three different hybrid polymers: , and . We made the hypot…
Early stage formation of graphene on the C-face of 6H-SiC
N. Camara, G. Rius, J. -R. Huntzinger +5
An investigation of the early stage formation of graphene on the C-face of 6H-SiC is presented. We show that the sublimation of few atomic layers of Si out of the SiC substrate is…
A genetic algorithm for the atomistic design and global optimisation of substitutionally disordered materials
Chris E. Mohn, Walter Kob
We present a genetic algorithm for the atomistic design and global optimisation of substitutionally disordered bulk materials and surfaces. Premature convergence which hamper conve…
Selective epitaxial growth of graphene on SiC
N. Camara, G. Rius, J. -R. Huntzinger +4
We present an innovative method of selective epitaxial growth of few layers graphene (FLG) on a pre-patterned SiC substrate. The methods involves, successively, the sputtering of a…
Structural and phase properties of tetracosane (C24H50) monolayers adsorbed on graphite. Explicit Hydrogen Molecular Dynamics study
L. Firlej, B. Kuchta, M. W. Roth +2
We discuss Molecular Dynamics (MD) computer simulations of tetracosane (C24H50) monolayer physisorbed onto a graphite surface. The alkane molecules are simulated with explicit hydr…