Crystal dynamics of zinc chalcogenides I: an application to ZnS

Objective & Hypothesis:A van der Waals three body force rigid shell model (VTRSM) developed earlier for NaCl and CsCl structurewas expanded by us for zinc blende structure (ZBS).

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Key Findings & Data:This model includes the effect of three body interactions and vander Waals interactions in the rigid shell model where short-range interactions were considered up to the second neighbor.Our model thus developed was applied to study the phonon dispersion curves, Debye temperature variation, two phononRaman/IR spectra, and anharmonic elastic properties of ZnS.

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Conclusion & Impact:Our results are in good agreement with the measured datawherever available.

🔬Design:Modeling & Simulation

📍Scope:Comprehensive Sample

⚙️Variables:Domain Parameters

Abstract

A van der Waals three body force rigid shell model (VTRSM) developed earlier for NaCl and CsCl structurewas expanded by us for zinc blende structure (ZBS). This model includes the effect of three body interactions and vander Waals interactions in the rigid shell model where short-range interactions were considered up to the second neighbor.Our model thus developed was applied to study the phonon dispersion curves, Debye temperature variation, two phononRaman/IR spectra, and anharmonic elastic properties of ZnS. Our results are in good agreement with the measured datawherever available.

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Cite This Article

DUBEY, J. P., TIWARI, R. K., UPADHYAY, K. S., PANDEY, P. K. (2015). Crystal dynamics of zinc chalcogenides I: an application to ZnS. Turkish Journal of Physics, Cilt: 39 - Sayı: 3, 242–253. https://ajindex.com/articles/377888

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References (1)

Vagelatos, N.; Wehe, D.; King, S. J.J. Chem. Phys.1974,60, 3613-3618. [2]Lee, B. H.J. Appl. Phys.1970,41, 2988-2990. [3]Martin, D. L.Phil. Mag.1955,46, 751{758. [4]Clusius, K.; Harteck, P.Z. Phys. Chem.1928,134, 243-263. [5]Deutsch, T.: in Proc. Int. Conf. Semiconductors, Exeter, Institute of Physics and Physical Society, London, 1962. [6]Nilsen, W. G.: Proc. Int. Conf. Light Scattering Spectra of Solids, 1968. [7]Vetelino, J. F.; Mitra, S. S.Phys. Rev.1969,178, 1349-1352. [8]Talwar, D. N.; Vandevyver, M.; Kunc, K.; Zigone, M.Phys. Rev. B1981,24, 741-753. [9]Kunc, K.; Nielsen, O. H.Computer Phys. Commun.1979,17, 413{422. [10]Kunc, K.; Balkanski, M.; Nusimovici, M. A.Phys. Rev. B1975,12, 4346{4355. [11]Kushwaha, M. S.Phys. Rev.B1981,24, 2115-2120. [12]Kushwaha, M. S.; Kushwaha, S. S.Canad. J. Phys.1980,58, 351-358. [13]Rajput, B. D.; Browne, D. A.Phys. Rev. B1996,53, 9052-9058. [14]Yu, Y.; Zhou, J.; Han. H.; Zhang, C.; Cai, T.; Song, C.; Gao, T.,J. Alloys Compd.2009,471, 492-497. [15]Cardona, M.; Kremer, R. K.; Lauck, R.; Siegle, G.; Munoz, A.; Romero, A. H.; Schindler, A.Phys. Rev. B2010,81, 075207-075220.[ 16]Wang, H. Y.; Cao, J.; Haung, X. Y.; Huang, J. M.Cond. Matter Phys.2012,15, 13705{13715. [17]Lowdin, P. O.Phil. Mag. Suppl.1956,5, 1-15. [18]Lundqvist, S. O.Ark. Fys. Sweden1955,9, 435{445. [19]Singh, R. K.Physics Reports(Netherlands)1982,85, 259-401. [20]Singh, R. K.; Singh, S.Phys. Status Solidi (b)1987,140, 407-413. [21]Sharma, U. C.; Verma, M. P.Phys. Status Solidi (b)1980,102, 487{494. [22]Garg, V. K.; Puri, D. S.; Verma, M. P.Phys. Status Solidi (b)1978,87, 401-407. [23]Upadhyaya, K. S.; Pandey, A; Srivastava, D. M.Chinese J. Phys.2006,44, 127-136. [24]Upadhyaya, K. S.; Upadhyay, G. K.; Yadav, M.; Singh, A. K.J. Phys. Soc. Japan2001,70, 723{728. [25]Tiwari, S. K.; Pandey, L. K.; Shukla, L. J. Upadhyaya, K. S.Phyica Scr.2009,80, 1{6.[26]Srivastava, U. C.; Upadhyaya, K. S.Physical Rev. Res. Int.2011,1, 16{28. [27]Mishra, K. K.; Upadhyaya, K. S.Int. Jour. Sci. Engg. Res.2012,3, 1388-1398. [28]Singh, R. K.; Khare, P.J. Phys. Soc. Japan1982,51, 141-146. [29]Hafemeister, D. W.; Flygare. W. H.J. Chem. Phys.1965,43, 795{805. [30]Singh, R. K.; Singh, R. D.Phys. Status Solidi (b)1982,114, 235{242. [31]Berlin Court, D.; Jaffe, H.; Shiozawa, L. R.Phys. Rev.1963,129, 1009{1017. [32]Shankar, J.; Sharma, J. C.; Sharma, O. P.Ind. J. Pure Appl. Phys.1977,15, 809{811. [33]Kunc, K.; Balkanski, M.; Nusimovici, M. A.Phys. Status Solidi (b)1975,72, 249{260. [34]Sl