Harmonic dynamical behaviour of thallous halides

Pramana

K S Upadhyaya³  L J Shukla²  Sarvesh K Tiwari1¹ 

[1]Motilal Nehru National Institute of Technology, Allahabad 211 004, India$$

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

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

关键词: Phonons;    specific heat;    infra-red spectra;    Raman spectra.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

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.

【 授权许可】

Unknown