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- 1. 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)
- 2. Phys. Rev. B 75, 085205 (2007) , “Luminescence properties of hexagonal boron nitride: Cathodoluminescence and photoluminescence spectroscopy measurements”, M. G. Silly, P. Jaffrennou, J. Barjon, J.-S. Lauret, F. Ducastelle, A. Loiseau, E. Obraztsova, B. Attal-Tretout, and E. RosencherCathodoluminescence and photoluminescence spectroscopies have been performed on hexagonal boron nitride powders. The combination of these techniques allows us to analyze the two observed luminescence bands. A deep-level UV emission at about 4 eV is attributed to defects or impurities, and a... (Read more)
- 3. Appl. Phys. Lett. 89, 142914 (2006) , “Defect passivation in HfO2 gate oxide by fluorine”, K. Tse and J. RobertsonThe authors have calculated that fluorine substituting for oxygen gives no gap states in HfO2. This accounts for the good passivation of oxygen vacancies by F seen experimentally. Bonding arguments are used to account for why F may be the most effective passivant in ionic oxides such as... (Read more)
- 4. Appl. Phys. Lett. 89, 082908 (2006) , “Negative oxygen vacancies in HfO2 as charge traps in high-k stacks”, J. L. Gavartin, D. Muñoz Ramo, A. L. Shluger, G. Bersuker, and B. H. LeeThe optical excitation and thermal ionization energies of oxygen vacancies in m-HfO2 are calculated using a non-local density functional theory with atomic basis sets and periodic supercell. The thermal ionization energies of negatively charged V– and... (Read more)
- 5. Phys. Rev. B 74, 125203 (2006) , “Density functional theory of structural transformations of oxygen-deficient centers in amorphous silica during hole trapping: Structure and formation mechanism of the Egamma[prime]" align="middle"> center”, T. Uchino and T. YokoWe investigate the hole trapping process of a neutral oxygen vacancy in amorphous silicon dioxide (a-SiO2) using cluster calculations based on the density functional theory (DFT) method. We show that trapping a hole at a neutral oxygen vacancy leads to the formation of several... (Read more)
- 6. Phys. Rev. B 73, 033204 (2006) , “Electrical characterization of metastable carbon clusters in SiC: A theoretical study”, A. Gali, N. T. Son, E. JanznFirst-principles calculations carried out in 3C- and 4H-SiC show that small metastable carbon clusters can be created in irradiated SiC. The metastable carbon clusters possess occupation levels in the p-type as well as in the n-type 4H-SiC. Depending on the... (Read more)
- 7. J. Non-Cryst. Solids 239, 16-48 (1998) , “Optically active oxygen-deficiency-related centers in amorphous silicon dioxide”, Linards SkujaThe spectroscopic properties, structure and interconversions of optically active oxygen-deficiency-related point defects in vitreous silica are reviewed. These defects, the E′-centers (oxygen vacancies with a trapped hole or 3-fold-coordinated silicons), different variants of diamagnetic... (Read more)GeO2 SiO2| EPR PL gamma-irradiation optical-spectroscopy| 0.5-1.0eV 1.0eV~ 1H 2.0eV~ 3.0eV~ 4.0eV~ 5.0eV~(larger) Chlorine E' E'-alpha E'-betha E'-delta E'-gamma Germanium H(I) H(II) Hydrogen ODC ODC(I) ODC(II) OHC Oxygen POR Silicon amorphous dangling-bond dielectric interstitial pair(=2) surface triplet vacancy | last update: Takahide Umeda
- 8. Nucl. Instrum. Methods Phys. Res. B 141, 566-574 (1998) , “Defect formation in amorphous SiO2 by ion implantation: Electronic excitation effects and chemical effects”, H. Hosono, N. MatsunamiIntrinsic defect formation in amorphous (a-) SiO2 by ion implantation was examined with emphasis upon electronic excitation effects and chemical reaction effects. 10 MeV proton beam and boron beam irradiated silica platelets to examine electronic excitation effects and chemical reaction effects. In... (Read more)
- 9. J. Non-Cryst. Solids 179, 1-9 (1994) , “The many varieties of E′ centers: a review”, Robert A. WeeksThree varieties of E′ centers with a spin state, S = 1/2, and with a G-tensor, Gx Gy 2.0003, Gz 2.0018, were identified in the early reports on paramagnetic states in irradiated α-quartz. The atomic structure of two of these had an hydrogen ion (proton) in nearby sites and hence... (Read more)
- 10. Phys. Rev. Lett. 51, 423 (1983) , “Creation of Quasistable Lattice Defects by Electronic Excitation in SiO2”, Katsumi Tanimura, Takeshi Tanaka, and Noriaki ItohThe transient volume change of ?-quartz and fused silica induced by irradiation with an electron pulse has been measured above 80 K. It is shown that transient changes of volume and optical absorption due to the E1? centers (oxygen vacancies) decay in parallel and that the... (Read more)
- 11. J. Non-Cryst. Solids 32, 313-326 (1979) , “OXYGEN-ASSOCIATED TRAPPED-HOLE CENTERS IN HIGH-PURITY FUSED SILICAS”, M. Stapelbroek, D. L. Griscom, E. J. Friebele and G. H. Sigel, Jr.Two distinct oxygen-associated trapped-hole centers (OHCs) are identified in samples of room-temperature γ-irradiated, high-purity fused silica. One, which we label the "wet" OHC, predominates in the high-OH-content (wet) silicas while the other, the "dry" OHC, is more... (Read more)
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