Abstract
The lattice constants, interatomic force constants and elastic constants of zinc-blende AlN, AlP and AlAs are calculated by ab initio pseudopotential plane wave method. The calculated lattice constants are underestimated owing to local density approximation itself and thermal expansion effect. Based on the density functional perturbation theory, the elastic properties of these materials are studied. The calculated values are affected by lattice constant, selection of pseudopotential and exchange-correlation energy. Based on the calculated elastic constants, Young's modulus diagrams on (101) sides of these materials are drawn, which provides an important reference for the future research on the mechanics of such materials.
Similar content being viewed by others
References
A. Mujica, A. Rubio, A. Munoz, and R. J. Needs, Rev. Mod. Phys. 75, 863 (2003).
S. Nakamura, M. Senoh, S. Nagahama, N. Iwasa, T. Yamada, and T. Matsushita, Jpn. J. Appl. Phys. 35, L74 (1996).
K. H. Kim, Z. Y. Fan, M. Khizar, M. L. Nakarmi, J. Y. Lin, and H. X. Jiang, Appl. Phys. Lett. 85, 4777 (2004).
W. A. Brantley, J. Appl. Phys. 44, 534 (1973).
A. A. Yamaguchi, Y. Mochizuki, C. Sasaoka, A. Kimura, M. Nido, and A. Usui, Appl. Phys. Lett. 71, 374 (1997).
P. Rodriguez and A. Munoz, Semicond. Sci. Technol. 7, 1437 (1992).
N. Chetty, A. Muoz, and R. M. Martin, Phys. Rev. B 40, 11934 (1989).
Y. Ciftci, K. Colakoglu, and E. Deligoz, Phys. Status Solidi C 4, 234 (2007).
A. F. Wright, J. Appl. Phys. 82, 2833 (1997).
I. Petrov, E. Mojab, R. C. Powell, J. E. Green, L. Hultman, and J. E. Sundgren, Appl. Phys. Lett. 60, 2491 (1992).
G. Lucovsky, R. M. Martin, and E. Burstein, Phys. Rev. B 4, 1367 (1971).
N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
V. V. Sahni, K. Bohnen, and M. K. Harbola, Phys. Rev. A 3, 71895 (1988).
X. Gonze, J. M. Beuken, R. Caracas, et al., Comput. Mater. Sci. 25, 478 (2002).
A. D. Corso, F. Mauri, and A. Rubio, Phys. Rev. B 53, 15638 (1996).
P. Giannozzi and S. de Gironcoli, Phys. Rev. B 43, 7231 (1990).
O. H. Nielsen and R. M. Martin, Phys. Rev. B 32, 3780 (1985).
J. F. Nye, Physical Properties of Crystals (Oxford Univ. Press, Oxford, 1957).
K. Karch and F. Bechstedt, Phys. Rev. B 56, 7404 (1997).
K. Kim, W. R. L. Lambrecht, and B. Segall, Phys. Rev. B 53, 10310 (1996).
E. Ruiz, S. Alvarez, and P. Alemany, Phys. Rev. B 49, 7115 (1994).
D. R. Hamann, X. Wu, K. M. Rabe, and D. Vanderbilt, Phys. Rev. B 71, 035117 (2005).
M. J. Herrera-Cabrera, P. Rodriguez-Hernandez, and A. Munoz, Phys. Status Solidi B 223, 411 (2001).
A. Bouhenadou, R. Khenata, and M. Kharoubi, Comput. Mater. Sci. 45, 474 (2009).
B. Landolt, Semicondutors: Physics of Group IV Elementsand III-V Compounds (Springer, Berlin, 1992), Vol. III/17a.
M. Krieger and H. Sigg, Appl. Phys. Lett. 66, 682 (1995).
C. Hartwigsen, S. Goedecker, and J. Hutter, Phys. Rev. B 58, 3641 (1998).
J. F. Nye, Physical Properties of Crystals. Their Representation by Tensors and Matrices, 2nd ed. (Oxford, Clarendon, 1985).
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Wang, H., Tan, Q. & Zeng, X. Comparative Study on the Interatomic Force Constants and Elastic Properties of Zinc-Blende AlN, AlP, and AlAs. Jetp Lett. 109, 652–656 (2019). https://doi.org/10.1134/S0021364019100035
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S0021364019100035