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http://ir.ncue.edu.tw/ir/handle/987654321/12472
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| Title: | First-principles Calculation for Bowing Parameter of Wurtzite AlxGa1-xN |
| Authors: | Liou, B. T.;Yen, S. H.;Kuo, Yen-Kuang |
| Contributors: | 物理學系 |
| Date: | 2005-11
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| Issue Date: | 2012-07-19T01:47:23Z
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| Publisher: | SpringerLink |
| Abstract: | Numerical calculation based on first-principles is
applied to study the structural characteristics and the bandenergy
properties of wurtzite AlxGa1−xN. The lattice constants
obtained from the equilibrium energy are larger than those
obtained from the Vegard’s law. The deviation parameter is
0.040±0.005 °A for the a lattice constant and 0.125±0.009 °A
for the c lattice constant. The band gap energy is overestimated
with the Vegard’s law. The bowing parameter of direct (indirect)
band gap energy of 0.752±0.069 eV (0.889±0.057 eV)
is obtained with the equilibrium lattice constants, and 0.352± 0.046 eV (0.271±0.056 eV) is obtained with the lattice constants derived from the Vegard’s law. |
| Relation: | Applied Physics A: Materials Science & Processing, 81(7): 1459-1463 |
| Appears in Collections: | [物理學系] 期刊論文
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