Electronic and structural properties of zincblende AlxIn1−xN |
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Authors: | Bo-Ting Liou Chieh-Wen Liu |
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Affiliation: | a Department of Mechanical Engineering, Hsiuping Institute of Technology, Taichung 41283, Taiwan b Department of Physics, Tunghai University, Taichung 40704, Taiwan |
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Abstract: | Numerical calculations based on first-principles are applied to study the electronic and structural properties of ternary zincblende AlInN alloy. The results indicate the lattice constant has a small deviation from the Vegard’s law. The direct and indirect bowing parameters of 4.731 ± 0.794 eV and 0.462 ± 0.285 eV are obtained, respectively, and there is a direct-indirect crossover near the aluminum composition of 0.817. The bulk modulus is monotonically increased with an increase of the aluminum composition, and the deviation parameter of bulk modulus of 10.34 ± 9.37 GPa is obtained. On the contrary, the pressure derivative of bulk modulus is monotonically decreased with an increase of the aluminum composition. |
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Keywords: | 71.15.&minus m 71.15.Nc 71.55.Eq 71.20.Nr 42.70.Qs |
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