Papers by Author: Thomas Frauenheim

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Authors: E. Rauls, Z. Hajnal, Peter Deák, Thomas Frauenheim
Authors: Peter Deák, Adam Gali, Z. Hajnal, Thomas Frauenheim, Nguyen Tien Son, Erik Janzén, Wolfgang J. Choyke, P. Ordejón
Authors: Uwe Gerstmann, E. Rauls, Harald Overhof, Thomas Frauenheim
Abstract: The conclusion which is drawn from the EPR line broadening and narrowing of the N shallow donor in an isotope enriched and non-enriched 4H-SiC and 6H-SiC crystals along with previous ENDOR results shows that the spin-density distribution over the C and Si nuclei differs between the 4H-SiC and 6H-SiC polytypes. The main part of the spin density in 4H-SiC is located on the Si sublattice. In contrast, in 6H-SiC the main part of the spin density is located on the C sublattice. An explanation for the difference in the electronic wave function of the N donor in 4HSiC and 6H-SiC can be found in the large difference in the band structure of two polytypes and in the position of the minima in the Brillouin zone.
Authors: B. Aradi, Adam Gali, Peter Deák, E. Rauls, Thomas Frauenheim, Nguyen Tien Son
Authors: Uwe Gerstmann, E. Rauls, S. Sanna, Thomas Frauenheim, Harald Overhof
Authors: A.T. Blumenau, R. Jones, Sven Öberg, Patrick R. Briddon, Thomas Frauenheim
Authors: A.T. Blumenau, Thomas Frauenheim, Sven Öberg, B. Willems, Gustaaf Van Tendeloo
Authors: Adam Gali, D. Heringer, Peter Deák, Z. Hajnal, Thomas Frauenheim, Wolfgang J. Choyke
Authors: Marton Vörös, Peter Deák, Thomas Frauenheim, Adam Gali
Abstract: We have investigated the absorption of 0.9, 1.4 nm silicon carbide nanoparticles (SiC NPs) by time-dependent density functional calculations, focusing on the effect of different oxygen adsorbates of the surface. We have found that negatively charged Si-O−, Si-COO− defects dramatically lower the optical gap of SiC NPs. Our findings can help interpret recent controversary experiments on colloidal SiC NPs.
Authors: E. Rauls, Z. Hajnal, Adam Gali, Peter Deák, Thomas Frauenheim
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