Deep Impurities

• Microscopic theory of atomic diffusion mechanisms in silicon
  R. Car, P. J. Kelly, A. Oshiyama and S. T. Pantelides,
  Phys. Rev. Lett. 52, 1814-1817 (1984).

• Theory of electronically stimulated defect migration in semiconductors
  S. T. Pantelides, A. Oshiyama, R. Car and P. J. Kelly,
  Phys. Rev. B 30, 2260-2262 (1984)

• Microscopic theory of atomic diffusion mechanisms in silicon
  R. Car, P. J. Kelly, A. Oshiyama and S. T. Pantelides,
  Physica 127 B+C, 401-407 (1984).

• Atomic diffusion in silicon
  R. Car, P. J. Kelly, A. Oshiyama and S. T. Pantelides,
  in Proceedings of the 17th International Conference on the Physics of Semiconductors,
  edited by D. J. Chadi and W. A. Harrison (Springer Verlag, New York, 1985), p.55.

• Microscopic theory of self-diffusion and impurity diffusion in silicon
  R. Car, P. J. Kelly, A. Oshiyama and S. T. Pantelides,
  J. Electron. Mat. 14a, 269-275 (1985).

• Microscopic theory of impurity-defect reactions and impurity diffusion in silicon
  R. Car, P. J. Kelly, A. Oshiyama and S. T. Pantelides,
  Phys. Rev. Lett. 54, 360-363 (1985).

• Defect structure and dynamics in silicon
  S. T. Pantelides, R. Car, P. J. Kelly and A. Oshiyama,
  in Computer-based microscopic description of the structure and properties of materials,
  edited by J. Broughton, W. Krakow and S. T. Pantelides,
  MRS 63, (Pittsburg, Pennsylvania, 1985), p.7.

• Theoretical determination of the vacancy migration energy in silicon
  P. J. Kelly, R. Car and S. T. Pantelides,
  in Defects in Semiconductors, edited by H. J. von Bardeleben,
  Materials Science Forum 10-12, (Trans Tech Publications, 1986), p.115-120.

• Equilibrium geometries and electronic structure of oxygen-related defects in silicon
  P. J. Kelly,
  in Proceedings of the 19th International Conference on the Physics of Semiconductors,
  edited by W. Zawadzki
  (Institute of Physics, Polish Academy of Sciences, Warsaw, 1988), p.1027-1030.

• Equilibrium geometries and electronic structure of oxygen-related defects in silicon
  P. J. Kelly,
  in Defects in Semiconductors, edited by G. Ferenczi,
  Materials Science Forum 38-41, (Trans Tech Publications, 1989), p.269.

• Green's matrix calculation of total energies of point defects in silicon
  P. J. Kelly and R. Car,
  Phys. Rev. B 45, 6543-6563 (1992).

update Mar 2005