Theoretical Investigations of Some Physical Properties of HgX (X = S, Se and Te) Semiconducting Compounds

A.R. Jivani; J.K. Baria; Paresh S. Vyas; Ashvin R. Jani

doi:10.4028/www.scientific.net/AMR.1141.153

Paper Titles

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Structural Properties of In_1-_xSn_x at Different Concentrations and Temperatures
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On the Relationship between Structural-Elastic Properties of Co-Zn Ferrites at 300 K
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Theoretical Investigations of Some Physical Properties of HgX (X = S, Se and Te) Semiconducting Compounds
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Heating Rate and Composition Dependence of Crystallization Temperature of Cu-Based Metallic Glasses
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Phonons in Binary Metallic Glass CuZr
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Dynamical Variable of Bi₅₀Zn₅₀ Bulk Metallic Glass at Various Temperature
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Ab Initio Calculations of Dielectric Function of Bimetallic Linear Atomic Chains of Au-Pd
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Theoretical Investigations of Some Physical Properties of HgX (X = S, Se and Te) Semiconducting Compounds

Abstract:

In the present work, we have investigated total energy, bulk modulus, elastic constants, pressure derivatives of elastic constants and pressure derivative of bulk modulus of HgX (X=S, Se and Te) semiconducting compounds using higher-order perturbation scheme with the application of our own proposed model potential. To consider exchange and correlation effect to the dielectric function, the local-field correction function proposed by Farid et al is employed in the present study. In most of the cases the experimental and other theoretical results of the aforesaid physical properties of the HgX are not available in the literature and hence this study provides a better set of theoretical results of the physical properties of the materials for future comparison either with theoretical or experimental results.