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 BxGa1-xN, BxGa1-xAs, and GaAs1-xNx. A comparison of enthalpies indicates that the production of BxGa1-xN films with boron concentrations of at least 5% may be possible.
Original Publication Citation
Laurian Escalanti* and G. L. W. Hart, "Boron alloying in GaN," Appl. Phys. Lett. 84 75 (Feb. 2 24). The original article may be found here: http://apl.aip.org/resource/1/applab/v84/i5/p75_s1
BYU ScholarsArchive Citation
Hart, Gus L. W. and Escalanti, Laurian, "Boron alloying in GaN" (2004). All Faculty Publications. 454.
American Institute of Physics
Physical and Mathematical Sciences
Physics and Astronomy
© 2004 American Institute of Physics
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