Abstract
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.
Original language | English |
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Pages (from-to) | 651-655 |
Number of pages | 5 |
Journal | Applied Physics A: Materials Science and Processing |
Volume | 81 |
Issue number | 3 |
DOIs | |
Publication status | Published - 2005 Aug 1 |
All Science Journal Classification (ASJC) codes
- Chemistry(all)
- Materials Science(all)