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Title of Journal: Indian J Phys

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Abbravation: Indian Journal of Physics

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Springer India

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DOI

10.1007/bf02073395

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0974-9845

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First principle study on pressureinduced electron

Authors: K Kabita J Maibam B I Sharma R K Thapa R K Brojen Singh
Publish Date: 2015/05/26
Volume: 89, Issue: 12, Pages: 1265-1271
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Abstract

The structural elastic and electronic properties of indium phosphide in zincblende and rocksalt structure under various pressures are studied using the first principle calculation based on the density functional theory with modified Becke–Johnson potential The pressureinduced structural phase transition from zinc blende to rock salt is observed at 93 GPa pressure with 164  volume collapse indicating that zincblende structure is more compressible as compared to rocksalt structure The elastic constants and elastic parameters such as Zener anisotropic factor Kleinmann parameter Poisson’s ratio isotropic shear modulus Young’s modulus and Debye’s temperature under different pressures are obtained and show a linear relation with pressure The electronic band structures at different pressures are investigated using the total and partial density of states The calculated results are found to be in good agreement with other theoretical and experimental results

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