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The total energy differences between various SiC polytypes (3C, 6H, 4H, 2H, 15R and 9R) were calculated using the full-potential linear muffin-tin orbital method using the Perdew-Wang-(91) generalized gradient approximation to the exchange-correlation functional in the density functional method. Numerical convergence versus k-point sampling and basis set completeness are demonstrated to be better than 1 meV/atom. The parameters of several generalized anisotropic next-nearest-neighbor Ising models are extracted and their significance and consequences for epitaxial growth are discussed.
This communication presents a comparative study on the charge transport (in transient and steady state) in bulk n-type doped SiC-polytypes: 3C-SiC, 4H-SiC and 6H-SiC. The time evolution of the basic macrovariables: the electron drift velocity and the
We have investigated the atomic structure of superconducting Ca-intercalated bilayer graphene on a SiC(0001) substrate using total-reflection high-energy positron diffraction. By comparing the experimental rocking-curves with ones calculated for vari
We present a calculation of the change of free energy of a solid surface upon bending of the solid. It is based on extracting the surface stress through a molecular dynamics simulation of a bent slab by using a generalized stress theorem formula, and
Recent experiments on the silicon terminated $3times 2$ SiC(100) surface indicated an unexpected metallic character upon hydrogen adsorption. This effect was attributed to the bonding of hydrogen to a row of Si atoms and to the stabilization of a nei
Elucidating the interaction between magnetic moments and itinerant carriers is an important step to spintronic applications. Here, we investigate magnetic and transport properties in d0 ferromagnetic SiC single crystals prepared by postimplantation p