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- 1. Phys. Rev. B 70, 235211 (2004) , “Structure and vibrational spectra of carbon clusters in SiC”, Alexander Mattausch, Michel Bockstedte, and Oleg PankratovThe electronic, structural, and vibrational properties of small carbon interstitial and antisite clusters are investigated by ab initio methods in 3C- and 4H-SiC. The defects possess sizable dissociation energies and may be formed via condensation of carbon interstitials, e.g.,... (Read more)
- 2. Phys. Rev. B 68, 205201 (2003) , “Ab initio study of the migration of intrinsic defects in 3C-SiC”, Michel Bockstedte, Alexander Mattausch, and Oleg PankratovThe diffusion of intrinsic defects in 3C-SiC is studied using an ab initio method based on density functional theory. The vacancies are shown to migrate on their own sublattice. The carbon split-interstitials and the two relevant silicon interstitials, namely the tetrahedrally... (Read more)
- 3. Phys. Rev. B 68, 125201 (2003) , “Aggregation of carbon interstitials in silicon carbide: A theoretical study”, A. Gali, P. Deák, P. Ordejón, N. T. Son, E. Janzén, and W. J. ChoykeAb initio supercell calculations have been carried out to investigate clusters of carbon interstitials in 3C- and 4H-SiC. Based on the calculated formation energies, the complex formation of carbon interstitials or their aggregation to carbon antisites is energetically favored... (Read more)
- 4. Phys. Rev. B 67, 205202 (2003) , “Formation and annealing of nitrogen-related complexes in SiC”, U. Gerstmann, E. Rauls, Th. Frauenheim, and H. OverhofWe propose a mechanism for the annealing of vacancy-related defects in SiC, based on ab initio total energy calculations. Our mechanism is based on the formation and migration of carbon and nitrogen split interstitials resulting in CSi(NC)n or... (Read more)
- 5. Phys. Rev. B 58, 9845 (1998) , “Theory of Carbon-Carbon Pairs in Silicon”, R. B. Capaz, A. Dal Pino, Jr., J. D. Joannopoulos.Interstitial-substitutional carbon pairs (CiCs) in silicon display interesting metastable behavior associated with two different structural configurations. In this work, we perform extensive ab initio calculations on this system. Our results show the following. (i) The... (Read more)
- 6. Phys. Rev. B 47, 6363-6380 (1993) , “Electron paramagnetic resonance of multistable interstitial-carbonsubstitutional-group-V-atom pairs in silicon”, X. D. Zhan, G. D. WatkinsA total of five new electron paramagnetic resonance (EPR) centers are observed in electron-irradiated P-, As-, and Sb-doped silicon. Three are identified as arising from the neutral charge state of the stable configuration and two of the four metastable configurations of an... (Read more)
- 7. Phys. Rev. B 42, 5765 (1990) , “Bistable interstitial-carbonsubstitutional-carbon pair in silicon”, L. W. Song, X. D. Zhan, B. W. Benson, and G. D. WatkinsA bistable interstitial-carbon–substitutional-carbon pair has been identified in electron-irradiated silicon by a combination of several spectroscopic experimental techniques. In the positive and negative charge states, the stable configuration of the defect involves a carbon-silicon ‘‘molecule’’... (Read more)
- 8. Phys. Rev. Lett. 60, 460 (1988) , “Bistable Defect in Silicon: The Interstitial-Carbon-Substitutional-Carbon Pair”, L. W. Song, X. D. Zhan, B. W. Benson, G. D. Watkins.By combining several spectroscopic techniques, we have observed a new type of bistable center in electron-irradiated silicon and have identified it as an interstitial-carbon–substitutional-carbon pair. The positive and negative charge states of the defect share a common stable configuration which... (Read more)
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Updated at 2010-07-20 16:50:39
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