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 |
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All Science Journal Classification (ASJC) codes
- Chemistry(all)
- Materials Science(all)
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Vegard's law deviation in band gap and bowing parameter of Al xIn1-xN. / Liou, B. T.; Yen, S. H.; Kuo, Yen-Kuang.
In: Applied Physics A: Materials Science and Processing, Vol. 81, No. 3, 01.08.2005, p. 651-655.Research output: Contribution to journal › Article
TY - JOUR
T1 - Vegard's law deviation in band gap and bowing parameter of Al xIn1-xN
AU - Liou, B. T.
AU - Yen, S. H.
AU - Kuo, Yen-Kuang
PY - 2005/8/1
Y1 - 2005/8/1
N2 - 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.
AB - 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.
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U2 - 10.1007/s00339-004-2711-1
DO - 10.1007/s00339-004-2711-1
M3 - Article
AN - SCOPUS:21644443748
VL - 81
SP - 651
EP - 655
JO - Applied Physics
JF - Applied Physics
SN - 0340-3793
IS - 3
ER -