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Home / Advanced Science Letters, Volume 22, Number 11

Thermal Properties of Monovalent Heavier Metal Halides (CsCl Structure Solids) Using Van Der Waals Three Body Force Shell Model

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Authors: Shukla, S. K 1 ; Mishra, K. K 2 ; Upadhyaya, K. S 3 ; 

Source: Advanced Science Letters, Volume 22, Number 11, November 2016, pp. 3972-3977(6)

Publisher: American Scientific Publishers

DOI: https://doi.org/10.1166/asl.2016.8058

Lattice dynamics of monovalent heavier metal halides as CsCI crystal solids (CsCI at 78 K, CsCI at 298 K, CsBr, CsI, TlCl, TlBr) have been studied with the help of new phenomenological model, van der Waals three-body force shell model (VTSM), incorporating the effect of van der Waals interactions (vWI) along with long-range screened Coulomb and three-body interactions (TBI) in the frame work of rigid shellmodel where short range interactions are operative up to the second neighbour in these halides. For thermal properties also this model is in an excellent agreement with available experimental data showing variation of Debye Temperature (ΘD–T) Curve. It is believed that incorporation of van der Waals interaction enables us to produce a vast study of lattice dynamical and other derivable properties of Cesium Chloride structure solid with the use of 14 parameters. A good agreement has been obtained between experimental and VTSM values for thermal properties.

Keywords: Anharmonic Elastic Constants; Debye Temperature; Lattice Dynamics

Document Type: Research Article

Affiliations: 1: Department of Applied Science and Humanities, Goel Institute of Technology and Management, Lucknow, India 2: Department of Physics, Lingaya’s University, Nachauli, Jasana Road, Faridabad, Haryana 121002, India 3: Department of Physics, Nehru Gram Bharati University, Kotwa, Jamunipur, Jhusi, Allahabad 221505, India

Publication date: 01 November 2016

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  • ADVANCED SCIENCE LETTERS is an international peer-reviewed journal with a very wide-ranging coverage, consolidates research activities in all areas of (1) Physical Sciences, (2) Biological Sciences, (3) Mathematical Sciences, (4) Engineering, (5) Computer and Information Sciences, and (6) Geosciences to publish original short communications, full research papers and timely brief (mini) reviews with authors photo and biography encompassing the basic and applied research and current developments in educational aspects of these scientific areas.
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