Full-potential investigations on the elastic and mechanical properties of the cubic biphasic forms of zinc sulphur through the methodology of Charpin

R. Nouri


Abstract: I apply the Full Potential Linearized Augmented Plane Wave FP-LAPW method based on the Density Functional Theory DFT within the most developed PBEsol2008 approximation together with the utilization of Gibbs programme to study the elastic, mechanical and electronic properties of ZnS into both cubic biphasic allotropic forms with low temperature structure i.e zinc-blende (B3) and high pressure structure which is rock-salt (B1) phase. Therefore, this study reports the results of the elastic constants and the mechanical quantities of this material and its dependences with temperature and pressure through the Charpin method. Furthermore, some quantities related to mechanical behaviours are well explained for these cubic phases. According to the theory of quantum field, the author finds that the sound velocities are evaluated in the classical mechanics. Moreover, the results show that Debye temperature is evaluated in the quantum mechanics and the Poisson’s ratio (υ) is independent to the temperature. Cauchy’s pressure and electronic charge density valid the covalent character of ZnS.  I find great concordance between my results and the available theoretical and experimental data.

Full Text:



R. Nouri, Mémoire de Magister en Physique, Spécialité : Sciences des Matériaux, Option : Semi-conducteurs, Université Mentouri de Constantine, Algérie, 2010.

R. Nouri et al., Optik, 130 (2017) 1004-1013.

R. Nouri et al., Personal Communication in: 6th Algerian Congress of Mechanics CAM2017, Brothers Mentouri Constantine 1 University, Algeria. , November 26-30, 2017.

R. Nouri et al., Personal Communication in : Book of Abstracts of The first 1St International Conference on Radiations and Applications, ICRA' 2017, Houari Boumediane University, Algiers, Algeria., November 20-22, 2017.

X. Fang, Y. Bando, U.K. Gautam, C. Ye, D. Golberg, J. Mater. Chem., 18 (2008) 509-522.

Z. Nourbakhsh, J. Alloys Compd., 505 (2010) 698-711.

D. Moore, Z.L. Wang, J. Mater. Chem., 16 (2006) 3898-3905.

X. Zhang, H. Song, L. Yu, T. Wang, X. Ren, X. Kong, Y. Xie, X. Wang, J. Lumin., 118 (2006) 251-256.

A.A. Khosravi, M. Kundu, B.A. Kuruvilla, G. Shekhawat, R. Gupta, A. Sharma, P. Vyas, S. Kulkarni, Appl. Phys. Lett., 67 (1995) 2506-2508.

D.G. Ayana, V. Prusakova, C. Collini, M.V. Nardi, R. Tatti, M. Bortolotti, L. Lorenzelli, A. Chiappini, A. Chiasera, M. Ferrari, L. Lunelli, S. Dirè, AIP Adv., 6 (2016) 111306.

S. Méçabih, K. Benguerine, N. Benosman, B. Abbar, B. Bouhafs, Physica B, 403 (2008) 3452-3458.

R. Nouri et al., Springer International Publishing, Cham, 2019, pp. 185-192.

R. Nouri et al., Personal Communication In: 4th International Conference On Energy, Materials, Applied Energetics And Pollution (ICEMAEP’2018), Brothers Mentouri Constantine 1 University, Algeria. , April 29th-30th 2018.

A. Hafdallah, F. Yanineb, M. Aida, N. Attaf, J. Alloys Compd., 509 (2011) 7267-7270.

X. Fang, T. Zhai, U.K. Gautam, L. Li, L. Wu, Y. Bando, D. Golberg, Prog. Mater Sci., 56 (2011) 175-287.

M. Tanaka, Q. Jifa, M. Yasuaki, J. Lumin., 87-89 (2000) 472-474.

S. Sapra, A. Prakash, A. Ghangrekar, N. Periasamy, D. Sarma, J. Phys. Chem. B, 109 (2005) 1663-1668.

M. Tanaka, J. Lumin., 100 (2002) 163-173.

A.S. Ethiraj, N. Hebalkar, S.K. Kulkarni, R. Pasricha, J. Urban, C. Dem, M. Schmitt, W. Kiefer, L. Weinhardt, S. Joshi, J. Chem. Phys., 118 (2003) 8945-8953.

W. Daranfed, M.S. Aida, A. Hafdallah, H. Lekiket, Thin Solid Films, 518 (2009) 1082–1084.

D. Damien, Thèse de doctorat de l'institut national des sciences appliquees de Lyon., 2000.

M. Bilge, S.Ö. Kart, H.H. Kart, T. Çağın, Mater. Chem. Phys., 111 (2008) 559-564.

M. Bilge, S.Ö. Kart, H. Kart, T. Cagin, J. Ach. Mat. Manuf. Eng., 31 (2008) 29-34.

F. Ali Sahraoui, S. Zerroug, L. Louail, D. Maouche, Mater. Lett., 61 (2007) 1978-1981.

X.-R. Chen, X.-F. Li, L.-C. Cai, J. Zhu, Solid State Commun., 139 (2006) 246-249.

C. Xiang-Rong, H. Cui-E, Z. Zhao-Yi, C. Ling-Cang, Chin. Phys. Lett., 25 (2008) 1064.

H. Wang, J. Cao, X. Huang, J. Huang, arXiv preprint arXiv:1204.6102, 15 (2012) 1–10.

R. Khenata, A. Bouhemadou, M. Sahnoun, A.H. Reshak, H. Baltache, M. Rabah, Comput. Mater. Sci., (2006) 29-38.

R.A. Casali, N.E. Christensen, Solid State Commun., 108 (1998) 793-798.

Z. Laarouk, Arabic reference, Publications of Mentouri Constantine University, Algeria, February 2001.

N. Rouag, Office de Publication Universitaire OPU, Université Mentouri de Constantine, Algérie, 2005–2006.

H. Mathieu, Masson, Paris, 1998.

J. Cazaux, 3 ème édition., Masson, Paris, 1981, 1996.

P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka, J. Luitz, Schwarz (Vienna University of Technology, Austria, 2011), (2011).

M.A. Blanco, E. Francisco, V. Luaña, Comput. Phys. Commun., 158 (2004) 57-72.

A.D. Becke, J. Chem. Phys., 140 (2014) 18A301.

L.J. Sham, W. Kohn, Phys. Rev., 145 (1966) 561-567.

S. Piskunov, Y. Zhukovskii, M. Sokolov, J. Kleperis, Lat.J. Phys.Tech.Sci, 55 (2018) 30-34.

S. Kulkova, A. Bakulin, S. Kulkov, Lat.J. Phys.Tech.Sci, 55 (2018) 20-29.

R. Haichour, Mémoire de Magister en Physique, Faculté des Sciences, Option : Physique du solide, Université Ferhat Abbas de Setif, Algérie., 2011.

J.P. Perdew, A. Ruzsinszky, G.I. Csonka, O.A. Vydrov, G.E. Scuseria, L.A. Constantin, X. Zhou, K. Burke, Phys. Rev. Lett., 100 (2008) 136406.

J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett., 77 (1996) 3865.

D. Koller, F. Tran, P. Blaha, Phys. Rev. B., 83 (2011) 195134.

F. Tran, P. Blaha, Phys. Rev. Lett., 102 (2009) 226401.

R. Nouri et al., Optik, 168 (2018) 901-912.

H. Landolt, R. Börnstein, K.H. Hellwege, I. Broser, M. Schulz, H. Weiss, O. Madelung, Landolt-Börnstein numerical data and functional relationships in science and technology. Group 3, Vol. 17 Springer, Berlin, 1982.

S. Ves, U. Schwarz, N.E. Christensen, K. Syassen, M. Cardona, Phys. Rev. B., 42 (1990) 9113-9118.

S. Ummartyotin, N. Bunnak, J. Juntaro, M. Sain, H. Manuspiya, Solid state Sci., 14 (2012) 299-304.

J. Nye, Dunod, 1961.

S. Baste, Proceedings of the 12th International Conference on Composite Materials, Paris, 1999.

M.J. Mehl, Phys. Rev. B., 47 (1993) 2493-2500.

R. Khenata, A. Bouhemadou, A.H. Reshak, R. Ahmed, B. Bouhafs, D. Rached, Y. Al-Douri, M. Rérat, Phys. Rev. B., 75 (2007) 195131.

J. Wang, S. Yip, S.R. Phillpot, D. Wolf, Phys. Rev. Lett., 71 (1993) 4182-4185.

S. Dahmen, H. Ketata, M.H.B. Ghozlen, B. Hosten, Ultrason., 50 (2010) 502-507.

R. Hill, Proc. Phys. Soc.Sect. A, 65 (1952) 349.

W. Voight, Teubner, Leipzig, 962 (1928).

A. Reuss, Z. Angew. Math. Mech, 9 (1929) 49-58.

E. Schreiber, O.L. Anderson, N. and Soga, McGraw-Hill, New York, 1973.

O.L. Anderson, J. Phys. Chem. Solids, 24 (1963) 909-917.

G. Grimvall, S. Sjödin, Phys. Scr., 10 (1974) 340.

P. Wachter, M. Filzmoser, J. Rebizant, Physica B, 293 (2001) 199-223.

S. Chikh, Physics in G.C.E.A-levels. Arabic reference., 9961-64-198-1. El Casabah Publishing House, Hidra, Algeria, 1999.

F. Boutaiba, A. Zaoui, M. Ferhat, Superlattices Microstruct., 46 (2009) 823-832.

L. Kleinman, Phys. Rev., 128 (1962) 2614-2621.

W. Harrison, WH Freemani and Co., San Francisco, (1989).

M.B. KANOUN, Doctor's Thesis. Specialty: Physics. Option: Materials Science, Abou-Bakr Belkaid University-Tlemcen, Algeria., 2004.

From Wikipedia, The free encyclopedia.

A.A. Dakhel, Arabic reference, Office of Press University, Ben Aknoune, Algeria, 1987.

S. Pugh, Philos. Mag., 45 (1954) 823-843.

I. Frantsevich, F. Voronov, S. Bokuta, Naukova Dumka, Kiev, (1983) 60-180.

D. Pettifor, Mater. Sci. Technol., 8 (1992) 345-349.

V. Kanchana, G. Vaitheeswaran, Y. Ma, Y. Xie, A. Svane, O. Eriksson, Phys. Rev. B., 80 (2009) 125108.

M. Rajagopalan, S. Praveen Kumar, R. Anuthama, Physica B, 405 (2010) 1817-1820.

N. Bouarissa, A. Tanto, H. Aourag, T. Bent-Meziane, Comput. Mater. Sci., 3 (1995) 430-438.

F. Benmakhlouf, A. Bechiri, N. Bouarissa, Solid-State Electron., 47 (2003) 1335-1338.

A. Abbad, S. Bentata, H. Bentounes, W. Benstaali, B. Bouadjemi, Mater. Sci. Semicond. Process., 16 (2013) 576-581.

D. Berlincourt, H. Jaffe, L.R. Shiozawa, Phys. Rev., 129 (1963) 1009-1017.

J. Wang, M. Isshiki, Springer, 2006, pp. 325-342.

W.J. Tropf, M.E. Thomas, T.J. Harris, Handb.Opt., 2 (1995) 33.61.

H. Chen, D. Shi, J. Qi, B. Wang, PhysicaE, 42 (2009) 32–37.

S. Adachi, Handbook on physical properties of semiconductors, Springer, 2004.

D.C. Harris, M. Baronowski, L. Henneman, L. Lacroix, C. Wilson, S. Kurzius, B. Burns, K. Kitagawa, J. Gembarovic, S.M. Goodrich, Opt.Eng., 47 (2008) 114001-114011.


  • There are currently no refbacks.

Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 International License. Copyright UMMB © 2020 University M'hamed Bougara - Boumerdes. Independance AV., Boumerdes, 35000 Algeria, Tel/Fax: +213 24 91 14 98/ +213 2491-29-51