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- 1. Phys. Rev. B 75, 035211 (2007) , “Self- and foreign-atom diffusion in semiconductor isotope heterostructures. II. Experimental results for silicon”, H. Bracht, H. H. Silvestri, I. D. Sharp, and E. E. HallerWe report the diffusion of boron, arsenic, and phosphorus in silicon isotope multilayer structures at temperatures between 850 °C and 1100 °C. The diffusion of all dopants and self-atoms at a given temperature is modeled with the same setting of all native-point-defect-related parameters.... (Read more)
- 2. Phys. Rev. Lett. 98, 045501 (2007) , “Dopability, Intrinsic Conductivity, and Nonstoichiometry of Transparent Conducting Oxides”, Stephan Lany and Alex ZungerExisting defect models for In2O3 and ZnO are inconclusive about the origin of conductivity, nonstoichiometry, and coloration. We apply systematic corrections to first-principles calculated formation energies ΔH, and validate our theoretical defect model against... (Read more)
- 3. Phys. Rev. B 73, 235213 (2006) , “Donor-vacancy complexes in Ge: Cluster and supercell calculations”, J. Coutinho, S. Öberg, V. J. B. Torres, M. Barroso, R. Jones, and P. R. BriddonWe present a comprehensive spin-density functional modeling study of the structural and electronic properties of donor-vacancy complexes (PV, AsV, SbV, and BiV) in Ge crystals. Special attention is paid to spurious results which are related to the choice of the boundary... (Read more)
- 4. Phys. Rev. B 70, 085202 (2004) , “Reassignment of phosphorus-related donors in SiC”, E. Rauls, M. V. B. Pinheiro, S. Greulich-Weber, and U. GerstmannCombining efficient density-functional based tight-binding molecular dynamics with ab initio calculations, we show that despite higher formation energies the incorporation of phosphorus at the carbon sublattice is favored by kinetic effects during the annealing processes. Based on the... (Read more)
- 5. Physica B 340-342, 15-24 (2003) , “Defects in SiC”, E. Janzén, I. G. Ivanov, N. T. Son, B. Magnusson, Z. Zolnai, A. Henry, J. P. Bergman, L. Storasta, F. CarlssonRecent results from studies of shallow donors, pseudodonors, and deep level defects in SiC are presented. The selection rules for transitions between the electronic levels of shallow donors in 4H–SiC in the dipole approximation are derived and the ionization energy for the N donor at... (Read more)
- 6. Phys. Rev. B 61, 12602 (2000) , “Phosphorus-related deep donor in SiC”, A. Gali, P. Deák, P. R. Briddon, R. P. Devaty, W. J. ChoykeTwo phosphorus centers in SiC, an isolated P atom substituting for Si (PSi) and a Si-site P-atom adjacent to a carbon vacancy (PSi+VC) are investigated by first principle calculations. It is shown that PSi+VC produces a singly occupied donor... (Read more)
- 7. Phys. Rev. 134, A1359 (1964) , “Defects in Irradiated Silicon: Electron Paramagnetic Resonance and Electron-Nuclear Double Resonance of the Si-E Center”, G. D. Watkins, J. W. Corbett.The Si-E center is one of the dominant defects produced by electron irradiation in phosphorus-doped vacuum floating zone silicon. It introduces an acceptor level at ?(Ec-0.4) eV and gives rise to an electron paramagnetic resonance when this level does not contain an electron. As a result... (Read more)
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