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Verma M.,BMS College of Engineering | Sharma B.K.,Agra College | Misra G.,Agra College | Tripathi P.,St Pauls Church College
Journal of Nano- and Electronic Physics | Year: 2011

The expressions for bulk modulus, its first and second pressure derivatives for elemental semiconductors are derived using the ab initio pseudo potential approach to the total crystal energy within the framework of local Density Functional formalism. The expression for the second pressure derivative of the bulk modulus for four-fold crystal structures are derived for the first time within the pseudo potential framework. The computed results for the semiconductors under study are very close to the available experimental data and will be useful in the study of equation of states. © 2011 SumDU. Source


Misra G.,Dr. B.R. Ambedkar University | Goyal M.,Institute of Management Sciences | Tenguria S.,Dr. B.R. Ambedkar University | Tripathi P.,St Pauls Church College
Journal of Biomedical Nanotechnology | Year: 2011

This paper addresses the multidimensional effects related with structural transformations of CdSe nanoparticles to human health and environment. The nanoparticles do undergo a wurtzite to rock salt transition that is analogous to that observed in bulk CdSe, it was observed that the limited extent of the crystallites affects both the thermodynamics and kinetics of the transition. The study reveals that the nanoparticles if suitably modified can be useful for biomedical applications. Copyright © 2011 American Scientific Publishers All rights reserved. Source

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