Impact ionization in GaAs: A screened exchange density-functional approach

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Results are presented of a fully ab initio calculation of impact ionization rates in GaAs within the density functional theory framework, using a screened-exchange formalism and the highly precise all-electron full-potential linearized augmented plane wave method. The calculated impact ionization rates show a marked orientation dependence in k space, indicating the strong restrictions imposed by the conservation of energy and momentum. This anisotropy diminishes as the impacting electron energy increases. A Keldysh type fit performed on the energy-dependent rate shows a rather soft edge and a threshold energy greater than the direct band gap. The consistency with available Monte Carlo ... continued below

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Picozzi, S., Asahi, R., Geller, C.B., Continenza, A., and Freeman, A.J. August 13, 2001.

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  • Bettis Atomic Power Laboratory
    Publisher Info: Bettis Atomic Power Laboratory (BAPL), West Mifflin, PA
    Place of Publication: West Mifflin, Pennsylvania

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Description

Results are presented of a fully ab initio calculation of impact ionization rates in GaAs within the density functional theory framework, using a screened-exchange formalism and the highly precise all-electron full-potential linearized augmented plane wave method. The calculated impact ionization rates show a marked orientation dependence in k space, indicating the strong restrictions imposed by the conservation of energy and momentum. This anisotropy diminishes as the impacting electron energy increases. A Keldysh type fit performed on the energy-dependent rate shows a rather soft edge and a threshold energy greater than the direct band gap. The consistency with available Monte Carlo and empirical pseudopotential calculations shows the reliability of our approach and paves the way to ab initio calculations of pair production rates in new and more complex materials.

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5 pgs/161 Kb

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  • Report No.: B-T-3391
  • Grant Number: AC11-98PN38206
  • Office of Scientific & Technical Information Report Number: 938976
  • Archival Resource Key: ark:/67531/metadc900138

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  • August 13, 2001

Added to The UNT Digital Library

  • Sept. 27, 2016, 1:39 a.m.

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  • Feb. 20, 2017, 2:54 p.m.

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Picozzi, S., Asahi, R., Geller, C.B., Continenza, A., and Freeman, A.J. Impact ionization in GaAs: A screened exchange density-functional approach, report, August 13, 2001; West Mifflin, Pennsylvania. (digital.library.unt.edu/ark:/67531/metadc900138/: accessed September 20, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.