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- 1. Phys. Rev. B 77, 195204 (2008) , “Identification of antisite carbon split-interstitial defects in 4H-SiC”, J. W. Steeds, W. SullivanA rich variety of optical centers with high energy local vibrational modes has been found in electron-irradiated 4H-SiC in both the as-irradiated and annealed states. These energies have been measured and the annealing dependence of the optical centers has been investigated by low-temperature... (Read more)
- 2. Phys. Rev. B 75, 115418 (2007) , “Early stages of radiation damage in graphite and carbon nanostructures: A first-principles molecular dynamics study”, Oleg V. Yazyev, Ivano Tavernelli, Ursula Rothlisberger, and Lothar HelmUnderstanding radiation-induced defect formation in carbon materials is crucial for nuclear technology and for the manufacturing of nanostructures with desired properties. Using first-principles molecular dynamics, we perform a systematic study of the nonequilibrium processes of radiation damage in... (Read more)
- 3. Phys. Rev. B 75, 085208 (2007) , “Clustering of vacancy defects in high-purity semi-insulating SiC”, R. Aavikko, K. Saarinen, F. Tuomisto, B. Magnusson, N. T. Son, and E. JanzénPositron lifetime spectroscopy was used to study native vacancy defects in semi-insulating silicon carbide. The material is shown to contain (i) vacancy clusters consisting of four to five missing atoms and (ii) Si-vacancy-related negatively charged defects. The total open volume bound to the... (Read more)
- 4. Phys. Rev. Lett. 98, 115503 (2007) , “Oxygen Vacancy Clustering and Electron Localization in Oxygen-Deficient SrTiO3: LDA+U Study”, Do Duc Cuong, Bora Lee, Kyeong Mi Choi, Hyo-Shin Ahn, Seungwu Han, and Jaichan LeeWe find, using a local density approximation +Hubbard U method, that oxygen vacancies tend to cluster in a linear way in SrTiO3, a prototypical perovskite oxide, accompanied by strong electron localization at the 3d state of the nearby Ti transition metal ion. The vacancy... (Read more)
- 5. Appl. Phys. Lett. 89, 092113 (2006) , “Large fluorine-vacancy clusters in Si and their capture efficiency for self-interstitials”, Giorgia M. Lopez and Vincenzo FiorentiniBased on ab initio density-functional energetics for saturated (n=2m+2) fluorine-vacancy clusters FnVm for m up to 4, the authors set up a model showing that (a) fluorine-vacancy (FV) aggregates in Si can form in any... (Read more)
- 6. Appl. Phys. Lett. 89, 031116 (2006) , “Er3+ excited state absorption and the low fraction of nanocluster-excitable Er3+ in SiOx”, C. J. Oton, W. H. Loh, and A. J. KenyonDespite the observation by a number of groups of a strong luminescence sensitization effect of erbium ions by excitation exchange from silicon nanoclusters, there is considerable experimental evidence that the fraction of Er ions excited by Si-nc is actually very low for much of the material... (Read more)
- 7. Appl. Phys. Lett. 89, 012505 (2006) , “Diffusion and clustering of substitutional Mn in (Ga,Mn)As”, Hannes Raebiger, Maria Ganchenkova, and Juhani von BoehmThe Ga vacancy mediated microstructure evolution of (Ga,Mn)As during growth and postgrowth annealing is studied using a multiscale approach. The migration barriers for the Ga vacancies and substitutional Mn together with their interactions are calculated using first principles, and temporal... (Read more)
- 8. Phys. Rev. B 74, 245420 (2006) , “Energetics, structure, and long-range interaction of vacancy-type defects in carbon nanotubes: Atomistic simulations”, J. Kotakoski, A. V. Krasheninnikov,, and K. NordlundThe presence of vacancy clusters in carbon nanotubes has been assumed to explain the formation of carbon peapods and the difference between the experimentally measured and theoretical fracture strength of nanotubes. We use atomistic simulations at various levels of theory to study the... (Read more)
- 9. Phys. Rev. B 74, 245411 (2006) , “Vacancy defects and the formation of local haeckelite structures in graphene from tight-binding molecular dynamics”, Gun-Do Lee, C. Z. Wang, Euijoon Yoon, Nong-Moon Hwang, and K. M. HoThe dynamics of multivacancy defects in a graphene layer is investigated by tight-binding molecular dynamics simulations and by first principles calculation. The simulations show that four single vacancies in the graphene layer first coalesce into two double vacancies, each consisting of a... (Read more)
- 10. Phys. Rev. B 74, 235201 (2006) , “Annealing of multivacancy defects in 4H-SiC”, W. E. Carlos, N. Y. Garces, E. R. Glaser, and M. A. FantonThe annealing behavior of defects observed in electron paramagnetic resonance (EPR) and photoluminescence (PL) is discussed. We consider the divacancy (the P6/P7 EPR centers) and a previously unreported EPR center that we suggest is a VC-VSi-VC... (Read more)
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