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• 4.9 Ranking Klimeck: Atomistic Electronic Structure ...

  Atomistic Electronic Structure Calculations of Unstrained Alloyed Systems Consisting of a Million Atoms

  Type	Publications
  Contributor(s)	Gerhard Klimeck, Timothy Boykin
  Date	14 Jan. 2008
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  The broadening of the conduction and valence band edges due to compositional disorder in alloyed materials of finite extent is studied using an s p3 s ∗ tight binding model. Two sources of broadening due to configuration and concentration disorder are identified. The concentrational disorder ...