Papers (1-1 of 1)

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

   0.0 out of 5 stars 

   Papers | 14 Jan 2008 | Contributor(s):: Gerhard Klimeck, Timothy Boykin

   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...