Abstract
The present work aims to investigate the elastic constants and their related mechanical parameters, acoustic wave speeds, piezoelectric coefficients and thermal properties of cubic zinc-blende AlN and their pressure dependence up to 5 GPa. The calculations are performed using the pseudopotential plane-wave method within the frame work of the density functional perturbation theory in the local density approximation for the exchange–correlation functional. The accord between our results and the experimental and previous theoretical data reported in the literature is found to be generally reasonably good. It is found that the surface acoustic wave speeds decrease with increasing pressure for both [100] and [110] crystallographic directions, while both elastic stiffness constants and piezoelectric coefficients increase under applied pressure. The variation of the features of interest as a function of pressure shows almost a linear behavior.
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs00214-019-2439-9/MediaObjects/214_2019_2439_Fig1_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs00214-019-2439-9/MediaObjects/214_2019_2439_Fig2_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs00214-019-2439-9/MediaObjects/214_2019_2439_Fig3_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs00214-019-2439-9/MediaObjects/214_2019_2439_Fig4_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs00214-019-2439-9/MediaObjects/214_2019_2439_Fig5_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs00214-019-2439-9/MediaObjects/214_2019_2439_Fig6_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs00214-019-2439-9/MediaObjects/214_2019_2439_Fig7_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs00214-019-2439-9/MediaObjects/214_2019_2439_Fig8_HTML.png)
Similar content being viewed by others
References
Ponce FA, Bour DP (1997) Nature 386:351
Orton JW, Foxon CT (1998) Rep Prog Phys 61:1
Jain SC, Willander M, Narayan J, van Overstraeten R (2000) J Appl Phys 87:965
Bouarissa N, Kassali K (2001) Phys Stat Sol B 228:663
Vurgaftman I, Meyer JR, Ram-Mohan LR (2001) J Appl Phys 89:5815
Bouarissa N (2002) Phys Stat Sol B 231:391
Bouarissa N (2002) Mater Chem Phys 73:51
Vurgaftman I, Meyer JR (2003) J Appl Phys 94:3675
Edgar JH (ed) (1994) Properties of group-III nitrides. EMIS Data-review Series IEE, London
Saib S, Bouarissa N (2006) J Phys Chem Sol 67:1888
Jonnard P, Capron N, Semond F, Massies J, Martinez-Guerrero E, Mariette H (2004) Eur Phys J B 42:351
**a H, **a Q, Ruoff AL (1993) Phys Rev B 47:12925
Ueno M, Yoshida M, Onodera A, Shimomura O, Takemura K (1994) Phys Rev B 49:14
Petrov I, Mojab E, Powell RC, Greene JE, Hultman L, Sundgren J-E (1992) Appl Phys Lett 60:2491
Cheng YC, Wu XL, Zhu J, Xu LL, Li SH, Chu PK (2008) J Appl Phys 103:073707
Holzapfel WB (1996) Rep Prog Phys 59:29
Badding JV (1998) Annu Rev Mater Sci 28:631
Bouarissa N (2011) Phys B 406:2583
Van Schilfgaarde M, Sher A, Chen AB (1997) J Cryst Growth 178:8
Saib S, Bouarissa N (2005) Eur Phys J B 47:379
Saib S, Bouarissa N, Rodrίguez-Hernàndez P, Muñoz A (2008) Phys B 403:4059
Verma UP, Bisht PS (2010) Solid State Sci 12:665
Tan X, **n Z, Liu X, Mu Q (2013) Adv Mat Res 821–822:841
The ABINIT code is a common project of the Université Catholique de Louvain, Corning Incorporated, and other contributors. http://www.abinit.org
Baroni S, Giannozzi P, Testa A (1987) Phys Rev Lett 58:1861
Saib S, Bouarissa N, Rodrίguez-Hernàndez P, Muñoz A (2008) J Appl Phys 103:013506
Saib S, Bouarissa N, Rodrίguez-Hernàndez P, Muñoz A (2008) J Appl Phys 104:076107
Troullier N, Martins JL (1991) Phys Rev B 43:1993
Fuchs M, Da Silva JLF, Stampfl C, Neugebauer J, Scheffler M (2002) Phys Rev B 65:245212
Kanoun MB, Goumri-Said S, Merad AE, Merad G, Cibert J, Aourag H (2004) Semicond Sci Technol 19:1220
Goedecker S, Teter M, Hutter J (1996) Phys Rev B 54:1703
Monkhorst HJ, Pack JD (1976) Phys Rev B 13:5188
Kaurav N, Kuo YK, Joshi G, Choudhary KK, Varshney D (2008) High Press Res 28:651
Bouarissa N (2006) Mater Chem Phys 100:41
Algarni H, Al-Hagan OA, Bouarissa N, Khan MA, Alhuwaymel TF (2017) Infrared Phys Technol 86:176
Rai DP, Ghimire MP, Thapa RK (2014) Semiconductors 48:1411
Zagorac J, Zagorac D, Jovanović D, Luković J, Matović B (2018) J Phys Chem Sol 122:94
Rahaman MZ, Ali ML, Rahman MA (2018) Chin J Phys 56:231
Daoud S, Bioud N, Lebga N (2019) Chin J Phys 57:165
Wang SQ, Ye HQ (2003) Phys Status Solidi B 240:45
Adachi S (1992) Physical properties of III-V semiconductor compounds. Wiley, New York, p 25
Adachi S (2005) Properties of group-IV, III–V and II–VI semiconductors. Wiley, Chichester
Varshney D, Joshi G, Kaurav N, Singh RK (2009) J Phys Chem Solids 70:451
Karch K, Wagner JM, Bechstedt F (1998) Phys Rev B 57:7043
Linghu Y, Wu X, Wang R, Li W, Liu Q (2017) J Electron Mater 46:1914
Yang J (2009) Special topics in the theory of piezoelectricity. Springer, LLC
Lüthi B (2005) Physical acoustics in the solid state. Springer, Berlin
Bo L, **ao C, Hualin C, Mohammad MA, **angguang T, Luqi T, Yi Y, Tianling R (2016) J Semicond 37:021001
Bouarissa N, Atik Y (2008) Mod Phys Lett B 22:1221
Ypma TJ (1995) SIAM Rev 37:531
Bu G, Ciplys D, Shur M, Schowalter LJ, Schujman S, Gaska R (2006) IEEE Trans Ultrason Ferroelectr Freq Control 53:251
Daoud S, Bioud N, Bouarissa N (2015) Mater Sci Semicond Process 31:124
Daoud S, Bioud N, Lebga N (2013) Pramana. J Phys 81:885
Yong JZ, Hong MS, **ng WT, Fei YJ (2010) Mol Phys 108:1641
Zhang W, Cheng Y, Zhu J, Chen XR (2009) Chin Phys B 18:1207
Wang S (2009) Phys Status Solidi B 246:1618
Daoud S, Bouarissa N (2019) Comput Condens Matter 19:e00359
Kumar V, Jha V, Shrivastava AK (2010) Cryst Res Technol 45:920
Yaddanapudi K (2018) AIP Adv 8:125006
MacChesney JB, Bridenbaugh PM, O’Connor PB (1970) Mater Res Bull 5:783
Martienssen W, Main F (2005) Semiconductors. In: Martienssen W, Warlimont H (eds) Springer handbook of condensed matter and materials data. S**er, Berlin, pp 575–694
Goldberg Y (2001) In: Levinshtein ME, Rumyantsev SL, Shur MS (eds) Properties of advanced semiconductor materials GaN, AlN, InN, BN, SiC, SiGe. Wiley, New York, 31–47
Chen H, Lei X, Long J, Huang W (2014) Mater Sci Semicond Process 27:207
Davydov SY, Tikhonov SK (1996) Semiconductors 30:514
Shimada K, Sota T, Suzuki K (1998) J Appl Phys 84:4951
Author information
Authors and Affiliations
Corresponding author
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and permissions
About this article
Cite this article
Daoud, S., Bouarissa, N. Elastic, piezoelectric and thermal properties of zinc-blende AlN under pressure. Theor Chem Acc 138, 49 (2019). https://doi.org/10.1007/s00214-019-2439-9
Received:
Accepted:
Published:
DOI: https://doi.org/10.1007/s00214-019-2439-9