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- 1. 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)
- 2. 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)
- 3. Appl. Phys. Lett. 88, 201918 (2006) , “Diffusion of zinc vacancies and interstitials in zinc oxide”, Paul Erhart and Karsten AlbeThe self-diffusion coefficient of zinc in ZnO is derived as a function of the chemical potential and Fermi level from first-principles calculations. Density functional calculations in combination with the climbing image-nudged elastic band method are used in order to determine migration barriers for... (Read more)
- 4. Appl. Phys. Lett. 88, 162107 (2006) , “Physical origin of threshold voltage problems in polycrystalline silicon/HfO2 gate stacks”, Dae Yeon Kim, Joongoo Kang, and K. J. ChangBased on theoretical calculations, we find that at p+ polycrystalline silicon (poly-Si)/HfO2 gates, Si interstitials are easily migrated from the electrode, forming HfSi bonds with a charge transfer to the electrode, and the resulting interface dipole raises the Fermi level... (Read more)
- 5. J. Appl. Phys. 99, 073709 (2006) , “Optical and electron paramagnetic resonance spectroscopies of diffusion-doped Co2+:ZnSe”, Ming Luo, N. Y. Garces, N. C. Giles, Utpal N. Roy, Yunlong Cui, and Arnold BurgerThe efficacy of diffusing cobalt into window-grade polycrystalline ZnSe during high-temperature anneals has been studied. Absorption, photoluminescence (PL), time-resolved PL, and electron paramagnetic resonance (EPR) were used to characterize samples with cobalt concentrations ranging from... (Read more)
- 6. J. Appl. Phys. 99, 044105 (2006) , “Passivation of oxygen vacancy states in HfO2 by nitrogen”, K. Xiong, J. Robertson, and S. J. ClarkNitrogen is known to reduce leakage currents and charge trapping in high-dielectric-constant gate oxides such as HfO2. We show that this occurs because nitrogen, substituting for oxygen atoms next to oxygen vacancy sites, repels the occupied gap states due to the neutral and positively... (Read more)
- 7. Phys. Rev. B 74, 235209 (2006) , “Comparison of two methods for circumventing the Coulomb divergence in supercell calculations for charged point defects”, A. F. Wright and N. A. ModineDensity-functional-theory calculations were performed for the unrelaxed +2 Si vacancy and +2 self-interstitial utilizing periodic boundary conditions and two different methods—the uniform background charge method and the local moment counter charge method—for circumventing the divergence... (Read more)
- 8. Phys. Rev. B 74, 165202 (2006) , “Structural and electronic properties of Fe3+ and Fe2+ centers in GaN from optical and EPR experiments”, E. Malguth, A. Hoffmann, W. Gehlhoff, O. Gelhausen, M. R. Phillips, and X. XuThis work provides a consistent picture of the structural, optical, and electronic properties of Fe-doped GaN. A set of high-quality GaN crystals doped with Fe at concentrations ranging from 5×1017 cm3 to 2×1020 cm3 is... (Read more)
- 9. Phys. Rev. B 74, 165201 (2006) , “Internal 5E ? 5T2 transition of Fe2+ in GaN”, E. Malguth, A. Hoffmann, and X. XuWe present Fourier transform infrared transmission measurements on Fe-doped GaN. A set of freestanding high-quality GaN:Fe samples with varying Fe concentrations shows a rich absorption structure around 390 meV which is unambiguously assigned to the internal... (Read more)
- 10. Phys. Rev. B 74, 155201 (2006) , “Crystal-field theory of Co2+ in doped ZnO”, R. O. Kuzian, A. M. Daré, P. Sati, and R. HaynWe present a crystal-field theory of transition-metal impurities in semiconductors in a trigonally distorted tetrahedral coordination. We develop a perturbative scheme to treat covalency effects within the weak ligand field case (Coulomb interaction dominates over one-particle splitting) and apply... (Read more)
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Updated at 2010-07-20 16:50:39
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