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- 1. Appl. Phys. Lett. 88, 182903 (2006) , “Effects of Al addition on the native defects in hafnia”, Q. Li, K. M. Koo, W. M. Lau, P. F. Lee, J. Y. Dai, Z. F. Hou, X. G. GongTwo occupied native defect bands are experimentally detected in pure HfO2. The density of states of band one in the middle of the band gap reduces drastically with the Al addition, while that of band two slightly above the valence-band maximum remains rather unaffected. We attribute the... (Read more)
- 2. Appl. Phys. Lett. 87, 062105 (2005) , “Negative-U property of oxygen vacancy in cubic HfO2”, Y. P. Feng, A. T. L. Lim, M. F. LiOxygen vacancy in cubic HfO2 was investigated using first-principles calculation based on density functional theory and generalized gradient approximation. Five different charge states (V++, V+, V0, V, and... (Read more)
- 3. 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)
- 4. Phys. Rev. Lett. 87, 165506 (2001) , “Defect Generation by Hydrogen at the Si-SiO2 Interfaces”, S. N. Rashkeev, D. M. Fleetwood, R. D. Schrimpf, and S. T. PantelidesHydrogen is known to passivate Si dangling bonds at the Si-SiO 2 interface, but the subsequent arrival of H + at the interface causes depassivation of Si-H bonds. Here we report first-principles density functional calculations, showing that, contrary to conventional... (Read more)
- 5. J. Appl. Phys. 72, 520-524 (1992) , “Deep levels of vanadium and vanadium-hydrogen complex in silicon”, T. Sadoh, H. Nakashima, and T. TsurushimaDeep levels in vanadium-doped n- and p-type silicon have been investigated using deep level transient spectroscopy (DLTS) and concentration profile measurements. The DLTS measurement reveals two electron traps of EC−0.20 eV and... (Read more)
- 6. Mater. Sci. Forum 83-87, 1165-1170 (1992) , “Spin dependent recombination at deep centers in Si - electrically detected magnetic resonance”, P. Christmann , M. Bernauer , C. Wetzel , A. Asenov , B. K. Meyer , A. Endros
- 7. Phys. Rev. B 37, 7268 (1988) , “Electron-nuclear double resonance of titanium in silicon: 47Ti and 49Ti ENDOR”, D. A. van Wezep, C. A. J. AmmerlaanThe electron-nuclear double-resonance spectra of interstitial 47Ti+ and 49Ti+ in silicon have been measured at 4.2 K. Spin Hamiltonians for these systems were determined and had to include hyperfine contributions of the type S3I and... (Read more)
- 8. Phys. Rev. B 32, 7129 (1985) , “Electron-Nuclear Double Resonance of Titanium in Silicon: 29Si ENDOR”, D. A. van Wezep, R. van Kemp, E. G. Sieverts, C. A. J. Ammerlaan.The Si-NL29 EPR spectrum, which is associated with the positive charge state of interstitial titanium in silicon, was investigated by electron-nuclear double resonance. Hyperfine-interaction parameters of 17 shells of silicon neighbors, comprised of 214 atoms, could be determined. These parameters... (Read more)
- 9. Appl. Phys. A 30, 1 (1983) , “Transition Metals in Silicon”, E. R. Weber.A review is given on the diffusion, solubility and electrical activity of 3d transition metals in silicon. Transition elements (especially, Cr, Mn, Fe, Co, Ni, and Cu) diffuse interstitially and stay in the interstitial site in thermal equilibrium at the diffusion temperature. The parameters of the liquidus curves are identical for the Si:Ti — Si:Ni melts, indicating comparable silicon-metal interaction for all these elements. Only Cr, Mn, and Fe could be identified in undisturbed interstitial sites after quenching, the others precipitated or formed complexes. The 3d elements can be divided into two groups according to the respective enthalpy of formation of the solid solution. The distinction can arise from different charge states of these impurities at the diffusion temperature. For the interstitial 3d atoms remaining after quenching, reliable energy levels are established from the literature and compared with recent calculations. (Read more)
- 10. Lattice Defects in Semiconductors 23, 1-22 (1975) , Institute of Physics, London , “EPR Studies of the Lattice Vacancy and Low-Temperature Damage Processes in Silocon”, G. D. Watkins.EPR studies of silicon irradiated at 20.4 K and 4.2 K by 1.5 MeV and 46 MeV electrons are described. In 46 MeV irradiations the dominant defects formed appear to be divavancies and other multiple defect aggregates which liberate vacancies throughout the anneal to room temperature as they reorder, recombine, etc. For 1.5 MeV irradiations group III atoms play a vital role in p- and n-type materials in trapping interstitials and stabilizing damage. Carbon and oxygen are not effective interstitial traps at these temperatures. Evidence of limited vacancy migration during irradiation is also cited. Two distinct excited configurations of vacancy-oxygen pairs are identified as precursors to A-centre formation in n-type silicon. The kinetics for their conversion to A-centres depends strongly upon the Fermi level as does the isolated vacancy migration energy whhich is measured to be 0.18 ± 0.02 eV for the V= charge state. The vacancy has four charge states, V+, V0, V- and V=. Kinetics for hole release from V+ reveals an activation barrier of 0.057 eV. The concentration of V+ at 20.4 K in boron-doped material indicates the corresponding donor level even closer to the band edge, approximately EV + 0.039 eV. Jahn-Teller energies for V0, V+, and V- are estimated from stress-alignment studies and confirmed to be large. Kinetics studies for reorientation from one Jahn-Teller distortion to another are also described for each charge state.
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