High-precision determination of atomic positions in crystals: The case of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>6</mml:mn><mml:mi>H</mml:mi></mml:math>- and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>4</mml:mn><mml:mi>H</mml:mi></mml:math>-SiC

Bauer, Andreas; Kräußlich, J.; Dressler, L.; Kuschnerus, Peter; Wolf, Johannes; Goetz, K.; Käckell, P.; Furthmüller, J.; Bechstedt, F.

doi:10.1103/physrevb.57.2647

Cited by 116 publications

(54 citation statements)

References 14 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The 4H-SiC crystal was represented by a hexagonal supercell containing eight atoms that was repeated periodically in space. The calculated lattice parameters for 4H-SiC polytype (a = 3.113 Å, c = 10.205 Å) are in good agreement with experimental data (a = 3.073 Å, c = 10.053 Å [12]) and with results of recent plane--wave-basis calculations [13] performed by applying the projector-augmented wave method and the GGA-PBE functional. The determined lattice parameters were applied to construct slabs of 12 SiC double-layers representing the (0001) and (0001) surfaces of the 4H-SiC crystal, terminated with Si and C atoms, respectively.…”

Section: Methodssupporting

confidence: 70%

Ab Initio Studies of Al and Ga Adsorption on 4H-SiC{0001} Surfaces

2012

View full text Add to dashboard Cite

Changes in the atomic and electronic structure of Si-and C-terminated 4H-SiC{0001} surfaces resulting from aluminium and gallium adsorption have been studied within density functional theory framework. Al and Ga coverages ranging from a submonolayer to one monolayer were considered. Our results show that Al binds more strongly to both surfaces than Ga. The binding is stronger to the C-terminated surface for both metals. The sites occupied by Al and Ga atoms at 1 monolayer are dierent and it is due to a dierent charge transfer from metal to the substrate.

show abstract

Section: Methodssupporting

confidence: 70%

Ab Initio Studies of Al and Ga Adsorption on 4H-SiC{0001} Surfaces

2012

View full text Add to dashboard Cite

show abstract

“…These are within error bars of published values. [19] RESULTS To obtain detailed information about both the graphene films and the SiC-graphene interface, we have measured the surface x-ray specular reflectivity from graphitized 4H-SiC(0001). Specular reflectivity only depends on the momentum transfer perpendicular to the surface.…”

Section: Methodsmentioning

confidence: 99%

Structural properties of the multilayer graphene/4H−SiC(0001¯)system as determined by surface x-ray diffraction

et al. 2007

View full text Add to dashboard Cite

We present a structural analysis of the multi-layer graphene-4HSiC(0001) system using Surface X-Ray Reflectivity. We show for the first time that graphene films grown on the C-terminated (0001) surface have a graphene-substrate bond length that is very short (1.62Å). The measured distance rules out a weak Van der Waals interaction to the substrate and instead indicates a strong bond between the first graphene layer and the bulk as predicted by ab-initio calculations. The measurements also indicate that multi-layer graphene grows in a near turbostratic mode on this surface. This result may explain the lack of a broken graphene symmetry inferred from conduction measurements on this system [C. Berger et al., Science 312, 1191].

show abstract

“…The lattice parameter of silicon carbide 24 is a Ϸ 3.1 Å and the grain-boundary energy per unit area 25 is ␥ Ϸ 0.1-0.3 J m −2 . Like in Sec.…”

Section: B Al-doped Sic Polycrystalsmentioning

confidence: 99%

Diffusion-driven superplasticity in ceramics: Modeling and comparison with available data

et al. 2009

View full text Add to dashboard Cite

The discovery of superplasticity in ceramics polycrystals led to debates about whether or not earlier models developed for metallic polycrystals can apply to these systems. In particular, all existing models require some mobility of lattice or grain-boundary dislocations whereas such activity is not observed in most ceramic systems. A model is presented that accounts for the occurrence of superplasticity in the absence of dislocation motion. It is based on a mechanism of grain-boundary sliding by pure-shear motion under stationary conditions, which is accommodated by lattice or grain-boundary diffusion. The prediction of this model regarding the temperature dependences of the stress exponent and of the effective activation energy are found in agreement with experimental results and literature data on five ceramic systems where dislocation activity could not be recorded: ␤-SiAlON polycrystals, Al-doped SiC polycrystals, nanocrystalline MgO, yttria-tetragonal zirconia polycrystals, and alumina ceramics polycrystals.

show abstract

High-precision determination of atomic positions in crystals: The case of6H- and4H-SiC

Cited by 116 publications

References 14 publications

Ab Initio Studies of Al and Ga Adsorption on 4H-SiC{0001} Surfaces

Ab Initio Studies of Al and Ga Adsorption on 4H-SiC{0001} Surfaces

Structural properties of the multilayer graphene/4H−SiC(0001¯)system as determined by surface x-ray diffraction

Diffusion-driven superplasticity in ceramics: Modeling and comparison with available data

Contact Info

Product

Resources

About