Numerical simulation based on first-principle calculations is applied to study the wurtzite AlxIn1-xN. Simulation results suggest that the Vegard's law deviation parameter is 0.063 ± 0.014 Å for the a lattice constant, and -0.160 ± 0.015 Å for the c lattice constant. The band gap bowing parameter is 3.668 ± 0.147 eV with the lattice constants by means of the minimized equilibrium energy, and 3.457 ± 0.152 eV with the lattice constants derived from Vegard's law.
|Number of pages||5|
|Journal||Applied Physics A: Materials Science and Processing|
|Publication status||Published - 2005 Aug 1|
All Science Journal Classification (ASJC) codes
- Materials Science(all)