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 |
|---|---|
| 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)
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Liou, B. T., Yen, S. H., & Kuo, Y-K. (2005). Vegard's law deviation in band gap and bowing parameter of Al xIn1-xN. Applied Physics A: Materials Science and Processing, 81(3), 651-655. https://doi.org/10.1007/s00339-004-2711-1