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

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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 (ΘDT) 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.
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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: November 1, 2016

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