Phase transition, electronic and optical properties of NaCl under pressure

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43923969" target="_blank" >RIV/49777513:23640/14:43923969 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1142/S0217984914500626" target="_blank" >http://dx.doi.org/10.1142/S0217984914500626</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1142/S0217984914500626" target="_blank" >10.1142/S0217984914500626</a>

Result language
angličtina
Original language name
Phase transition, electronic and optical properties of NaCl under pressure
Original language description
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.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BE - Theoretical physics
OECD FORD branch
—

Project
<a href="/en/project/ED2.1.00%2F03.0088" target="_blank" >ED2.1.00/03.0088: Centre of the New Technologies and Materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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