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Electronic and structural properties of zincblende AlxGa1-xN

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Abstract

Numerical calculations based on first-principles are applied to study the electronic and structural properties of zincblende AlxGa1-xN. The results show that the lattice constant has a very small deviation from the linear Vegard’s law. The direct and indirect bowing parameters of 0.295±0.034 eV and -0.125±0.060 eV are obtained, respectively, and there is a direct-indirect crossover near x=0.692. Besides, the bulk moduli and their pressure derivatives are monotonically increased with an increase of the aluminum composition x. The deviation parameter of the bulk modulus of -5.32±1.60 GPa is obtained.

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  1. Department of Mechanical Engineering, Hsiuping Institute of Technology, Taichung, 41283, Taiwan

    B.-T. Liou

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  1. B.-T. Liou
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Correspondence to B.-T. Liou.

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PACS

71.15.-m; 71.15.Nc; 71.55.Eq; 71.20.Nr; 42.70.Qs

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Liou, BT. Electronic and structural properties of zincblende AlxGa1-xN. Appl. Phys. A 86, 539–543 (2007). https://doi.org/10.1007/s00339-006-3810-y

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