Structural and elastic properties of the filled tetrahedral semiconductors LiZnX (X=N, P, and As) |
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| Authors: | F. Kalarasse |
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| Affiliation: | Physics Laboratory at Guelma, Faculty of Science and Engineering, University of Guelma, P.O. Box 401, Guelma 24000, Algeria |
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| Abstract: | We report on first-principles study of the structural and elastic properties of the Nowotny-Juza filled tetrahedral compounds LiZnX (X=N, P, As) using the full-potential linearized augmented plane wave method within the local density approximations. Our results indicate that the energetically favourable α-LiZnX materials are slightly softer than their binary analogous GaX and the sound speeds are quantitatively similar for LiZnAs and GaAs. |
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| Keywords: | A. Semiconductors C. Ab initio calculations D. Elastic properties |
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