Boron alloying in GaN

Escalanti, Laurian; Hart, Gus L. W.
February 2004
Applied Physics Letters;2/2/2004, Vol. 84 Issue 5, p705
Academic Journal
Using first-principles calculations in the local density approximation, we studied effects of adding up to 6% boron to zinc-blende GaN. We found that the band gap increases monotonically with boron incorporation, in agreement with experiment. A composition-independent band-gap bowing parameter of 4.30 eV was determined, and proved to be large compared to bowing for other mixed cation systems. The formation enthalpy of mixing, ΔH, was determined for B[sub x]Ga[sub 1-x]N, B[sub x]Ga[sub 1-x]As, and GaAs[sub 1-x]N[sub x]. A comparison of enthalpies indicates that the production of B[sub x]Ga[sub 1-x]N films with boron concentrations of at least 5% may be possible. © 2004 American Institute of Physics.


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