Total energy differences between SiC polytypes revisited

Coulomb Energy Differences in Mirror Nuclei Revisited

Optical Investigations of stacking faults in 4H-SiC epitaxial layers: comparison of 3C and 8H polytypes

We present an analysis of the electronic structure of in-grown 3C and 8H stacking faults (SFs) in a 4H-SiC matrix. First the concept of low temperature photoluminescence optical signature of SFs is discussed. Then, the results of type-II quantum well (QW) model calculations are displayed, taking into account the effect of valence band offset, internal polarization field and non homogeneity of t...

Asymmetric split-vacancy defects in SiC polytypes: a combined theoretical and electron spin resonance study.

Transition metal defects were studied in different polytypes of silicon carbide (SiC) by ab initio supercell calculations. We found asymmetric split-vacancy (ASV) complexes for these defects that preferentially form at only one site in hexagonal polytypes, and they may not be detectable at all in cubic polytype. Electron spin resonance study demonstrates the existence of ASV complex in niobium ...

The quantitative calculation of SiC polytypes from measurements of X-ray diffraction peak intensities

An experimental determination on powder mixtures of SiC-3C and 6H polytypes using an X-ray goniometer system showed the possibility of quantitative determination of polytype fraction directly from peak intensities. In combination with calculated X-ray intensities of 15R and 4H polytype, the method yields a simple equation system for the relative quantities of SiC polytypes 15R, 6H, 4H and 3C in...

Atomic relaxation and dynamical generation of ordered and disordered chemical vapour infiltration (CVI) SiC polytypes

The coexistence of ordered and disordered polytypes in SiC deposits is discussed from the point of view of their formation under CVD/CVI conditions, i.e., far from equilibrium. Local deformations at layer n are considered to determine the orientation and the deformations of the (n + l) layer. An analysis of this dependence is made by constructing a first return map of an atomic relaxation varia...