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- 1. 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)
- 2. Phys. Rev. B 74, 174101 (2006) , “First-principles study of the intrinsic defects in PbFCl”, Bo Liu, Zeming Qi, and Chaoshu ShiFirst-principles pseudopotential calculations have been performed to investigate intrinsic defects including vacancies, interstitials, antisite defects, as well as Schottky and Frenkel defects in PbFCl crystals. For the isolated vacancies and interstitials, their formation energies are critically... (Read more)
- 3. 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)
- 4. Phys. Rev. B 66, 161202(R) (2002) , “Phosphorus and sulphur doping of diamond”, L. G. Wang and Alex ZungerPrevious calculations on n-type doping of diamond by P and S predicted that S has a shallower level and a higher solubility than P. Our first-principles calculations show that the opposite is true: Phosphorus impurity in diamond gives rise to a shallower donor level, and has a higher bulk solid... (Read more)
- 5. 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
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Updated at 2010-07-20 16:50:39
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