1. bookVolume 33 (2015): Issue 1 (March 2015)
Journal Details
License
Format
Journal
eISSN
2083-134X
First Published
16 Apr 2011
Publication timeframe
4 times per year
Languages
English
access type Open Access

Influence of uniaxial stresses on electronic and optical properties of β-K2SO4 crystal

Published Online: 13 Mar 2015
Volume & Issue: Volume 33 (2015) - Issue 1 (March 2015)
Page range: 11 - 17
Received: 30 Jan 2013
Accepted: 06 Nov 2014
Journal Details
License
Format
Journal
eISSN
2083-134X
First Published
16 Apr 2011
Publication timeframe
4 times per year
Languages
English
Abstract

In view of possible practical applications of transparent crystals for mechanical stress sensors, theoretical investigation of piezo(elasto)optic effect in crystals might be useful for searching for proper materials, possessing large coefficients of elasto-optic effect, and for determination of uniaxial stress directions of maximum piezo-optical sensitivity. The influence of the uniaxial stresses on the electronic band structure, density of states, and optical properties of potassium sulphate crystal β-K2SO4 have been studied in the framework of the density functional theory using the ab initio CASTEP code. Increase in the band gap, Eg of the crystal takes place for three crystallographic directions and for moderate uniaxial stresses, σ < 1.5 GPa. Dependencies of principal refractive indices and polarizabilities upon principal uniaxial stresses are discussed together with other features of electronic structure of the crystal.

Keywords

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