Phase transition, electronic and optical properties of NaCl under pressure-Reference-Cited by-同舟云学术

Phase transition, electronic and optical properties of NaCl under pressure

Published:2014-03-26 Issue:08 Volume:28 Page:1450062
ISSN:0217-9849
Container-title:Modern Physics Letters B
language:en
Short-container-title:Mod. Phys. Lett. B

Author:

Naeemullah ¹,Murtaza G.²,Khenata R.³,Alahmed Z. A.⁴,Reshak A. H.⁵⁶

Affiliation:

1. Department of Physics, G. D. C. Darra Adam Khel, F. R. Kohat, KPK, Pakistan

2. Materials Modeling Laboratory, Department of Physics, Islamia College University, Peshawar, Pakistan

3. LPQ3M Laboratory, Institute of Science and Technology, University of Mascara, Algeria

4. Department of Physics and Astronomy, King Saud University, Riyadh 11451, Saudi Arabia

5. New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen, Czech Republic

6. Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis, Malaysia

Abstract

In this paper, we have carried out a theoretical investigation on the structural and optoelectronic properties of NaCl under pressure effect via first principle calculations within the density functional theory. The structural phase transition from NaCl(B1) to CsCl(B2) -type structures is determined. The compound has a very wide bandgap in both phases. Optical properties including the absorption coefficient, optical conductivity and frequency dependent reflectivity are explained to characterize the optical nature of NaCl up to pressure of 134 GPa.

Publisher

World Scientific Pub Co Pte Lt

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

Link

https://www.worldscientific.com/doi/pdf/10.1142/S0217984914500626

Reference27 articles.

1. E. R. Riegel, Riegel's Handbook of Industrial Chemistry (2003) p. 436.

2. U.S. Geological Survey Minerals Yearbook;Kostick D. S.,2008

3. Pressure‐Induced Phase Transformation in NaCl

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