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High Pressure Structural Phase Transition and Elastic Properties of MgX (X = S, Se, Te) Semiconducting Compounds

Published online by Cambridge University Press:  26 February 2011

Dinesh Varshney ,
Netram Kaurav ,
Kamal Kumar Choudhary ,
R. Kinge  and
R. K. Singh
Dinesh Varshney
Affiliation:
[email protected], Devi Ahilya University, School of Physics, Khandwa Road Campus, Indore, 452001, India
Netram Kaurav
Affiliation:
[email protected], Institute of Science and Laboratory Education, IPS Academy, Department of Physics, A. B. Road , Rajendra Nagar, Indore, 452012, India
Kamal Kumar Choudhary
Affiliation:
[email protected], S. V. I. T. S., Department of Engg. Physics, Sanwer Road, Baroli, Indore, 453331, India
R. Kinge
Affiliation:
[email protected], Devi Ahilya University, School of Physics, Khandwa Road Campus, Indore, 452001, India
R. K. Singh
Affiliation:
[email protected], Choudhary Devilal University, Institute of Professional and Scientific Studies and Research, Sirsa, 125055, India
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Abstract

Pressure-induced structural aspects of NaCl-type (B1) to CsCl-type (B2) structure in MgX [X = S, Se, Te] semiconductors are presented. An effective interionic interaction potential (EIOP) with long range Coulomb, van der Waals (vdW) interaction and the short-range repulsive interaction upto second-neighbor ions within the Hafemeister and Flygare approach is developed. Particular attention is devoted to evaluate the vdW coefficients following the variational method, as both the cation and the anion are polarizable. Our result on vast volume discontinuity in pressure volume phase diagram identifies the structural phase transition from B1 to B2 structure. The estimated value of the phase transition pressure (Pt) is consistent with results previously published. The variations of elastic constants with pressure follow a systematic trend identical to that observed in others compounds of NaCl type structure family.

Keywords

phase transformationelastic propertiessemiconducting
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 987: Symposium PP – Materials Research at High Pressure , 2006 , 0987-PP03-14
Copyright
Copyright © Materials Research Society 2007

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