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- 1. Phys. Rev. Lett. 98, 045501 (2007) , “Dopability, Intrinsic Conductivity, and Nonstoichiometry of Transparent Conducting Oxides”, Stephan Lany and Alex ZungerExisting defect models for In2O3 and ZnO are inconclusive about the origin of conductivity, nonstoichiometry, and coloration. We apply systematic corrections to first-principles calculated formation energies ΔH, and validate our theoretical defect model against... (Read more)
- 2. Phys. Rev. B 74, 144432 (2006) , “Role of defects in ferromagnetism in Zn1−xCoxO: A hybrid density-functional study”, C. H. PattersonExperimental studies of Zn1−xCoxO as thin films or nanocrystals have found ferromagnetism and Curie temperatures above room temperature and that p- or n-type doping of Zn1−xCoxO can change its magnetic... (Read more)
- 3. Phys. Rev. B 70, 115203 (2004) , “Different roles of carbon and silicon interstitials in the interstitial-mediated boron diffusion in SiC”, Michel Bockstedte, Alexander Mattausch, and Oleg PankratovThe interstitial and vacancy mediated boron diffusion in silicon carbide is investigated with an ab initio method. The boron interstitials in p-type and n-type materials are found to be far more mobile than the boron-vacancy complexes. A kick-out mechanism and an interstitialcy... (Read more)
- 4. Phys. Rev. B 69, 233202 (2004) , “Diffusion of hydrogen in perfect, p-type doped, and radiation-damaged 4H-SiC”, B. Aradi, P. Deák, A. Gali, N. T. Son, E. JanzénThe diffusion of interstitial atomic hydrogen in 4H-SiC was investigated theoretically, using the local density approximation of density functional theory. We have found that the diffusion barrier in the perfect crystal is 0.6 eV. Comparing this value with the calculated zero point vibration... (Read more)
- 5. Phys. Rev. B 69, 125203 (2004) , “First-principles studies of the diffusion of B impurities and vacancies in SiC”, R. Rurali, E. Hernández, P. Godignon, J. Rebollo, and P. OrdejónIn this paper we analyze, by means of first-principles electronic structure calculations, the structural, energetic, and diffusive properties of B impurities in SiC as well as of vacancies. We focus our study on (i) determining the equilibrium structures of the impurity in the lattice by means of... (Read more)
- 6. Phys. Rev. B 57, 1607 (1998) , “Electronic structure of the deep boron acceptor in boron-doped 6H-SiC”, A. v. Duijn-Arnold, T. Ikoma, O. G. Poluektov, P. G. Baranov, E. N. Mokhov, J. SchmidtA high-frequency (95 GHz) and conventional-frequency (9.3 GHz) pulsed electron paramagnetic resonance and electron-nuclear double resonance (ENDOR) study is reported on the deep boron acceptor in 6H-SiC. The results support a model in which the deep boron acceptor consists of a boron on a silicon... (Read more)
- 7. Phys. Rev. B 35, 1582 (1987) , “Electronic and Atomic Structure of the Boron-Vacancy Complex in Silicon”, M. Sprenger, R. van Kemp, E. G. Sieverts, and C. A. J. AmmerlaanIn electron-irradiated boron-doped silicon the electron paramagnetic resonance spectrum Si-G10 has been studied. Earlier this spectrum had tentatively been identified with a boron-vacancy complex in a next-nearest-neighbor configuration. With electron-nuclear double resonance the hyperfine and... (Read more)
- 8. Phys. Rev. B 13, 2511 (1976) , “EPR of a Trapped Vacancy in Boron-Doped Silicon”, G. D. Watkins.An S=1/2 EPR spectrum, labeled Si-G10, is tentatively identified as a lattice vacancy trapped by substitutional boron in silicon. It is produced in boron-doped vacuum floating-zone silicon by 1.5-MeV-electron irradiation at 20.4 K followed by an anneal at ? 180 K, where the isolated vacancy... (Read more)
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Updated at 2010-07-20 16:50:39
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