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Harmonic dynamical behaviour of thallous halides

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Abstract

Harmonic dynamical behaviour of thallous halides (TlCl and TlBr) have been studied using the new van der Waals three-body force shell model (VTSM), which incorporates the effects of the van der Waals interaction along with long-range Coulomb interactions, three-body interactions and short-range second neighbour interactions in the framework of rigid shell model (RSM). Phonon dispersion curves (PDC), variations of Debye temperature with absolute temperature and phonon density of state (PDS) curves have been reported for thallous halides using VTSM. Comparison of experimental values with those of VTSM and TSM are also reported in the paper and a good agreement between experimental and VTSM values has been found, from which it may be inferred that the incorporation of van der Waals interactions is essential for the complete harmonic dynamical behaviour of thallous halides.

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Authors and Affiliations

  1. Motilal Nehru National Institute of Technology, Allahabad, 211 004, India

    Sarvesh K. Tiwari

  2. Department of Physics, Raja Harpal Singh P.G. College, Singramau, Jaunpur, 222 175, India

    L. J. Shukla

  3. Faculty of Science, Nehru Gram Bharti University, Nyay Nagar, Jhunsi, Allahabad, 211 019, India

    K. S. Upadhyaya

Authors
  1. Sarvesh K. Tiwari
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  2. L. J. Shukla
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  3. K. S. Upadhyaya
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Correspondence to Sarvesh K. Tiwari.

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Tiwari, S.K., Shukla, L.J. & Upadhyaya, K.S. Harmonic dynamical behaviour of thallous halides. Pramana - J Phys 74, 793–804 (2010). https://doi.org/10.1007/s12043-010-0099-3

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  • DOI: https://doi.org/10.1007/s12043-010-0099-3

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