A theoretical study of structural, elastic and thermal properties of heavy lanthanide monoantimonides |
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| Authors: | Pooja Soni Sankar P Sanyal |
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| Institution: | a Department of Physics, Government M.L.B. Girls P.G. College, Bhopal 462 002, India
b Condensed Matter Physics Laboratory, Department of Physics, Barkatullah University, Bhopal 462 026, India |
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| Abstract: | The structural, elastic and thermal properties of three heavy monoantimonides of holmium, erbium and thulium (LnSb, Ln=Ho, Er and Tm) have been investigated theoretically by using an interionic potential theory consisting of long-range Coulomb, short-range repulsive and van der Waal’s (vdW) interactions. These compounds exhibit first-order crystallographic phase transition from their initial NaCl-type structure to CsCl-type structure at pressures 27, 33.2 and 29.8 GPa for HoSb, ErSb and TmSb, respectively. The values of elastic constants and Debye temperatures as a function of pressure are also reported. The elastic properties such as Young modulus (E), Shear modulus (G), Poisson ratio (υ) and anisotropic ratio (A) in an NaCl-type structure are also predicted. |
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| Keywords: | C High pressure C X-ray diffraction D Elastic properties D Phase transitions D Thermodynamic properties |
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