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FIRST PRINCIPLES CALCLATIONS OF MECHANCICAL LOAD ON OPTICAL PROPERTIES of Eu:Y2SiO5

Mirzai, Amin LU ; Ahadi, Aylin LU and Melin, Solveig LU (2018) 31st Nordic Seminar on Computational Mechanics, 2018
Abstract
The effects of mechanical load on optical properties of Y2SiO5 / Eu:Y2SiO5 crystals are investigated through application of first principles calculations. The crystals are first relaxed to reach equilibrium ground state using plane wave density functional theory (DFT). Once application of load on desired direction is performed the optical absorption profile of aforementioned crystals are plotted with the data provided by Time Dependant Density Functional Theory (TDDFT). The extracted results, not only suggests a directional sensitivity on mechanical strain/load but also it exhibits a sensitivity to the types of exerted stress, which can be immensely important on mounting direction of crystal.
Abstract (Swedish)
The effects of mechanical load on optical properties of Y2SiO5 / Eu:Y2SiO5 crystals are investigated through application of first principles calculations. The crystals are first relaxed to reach equilibrium ground state using plane wave density functional theory (DFT). Once application of load on desired direction is performed the optical absorption profile of aforementioned crystals are plotted with the data provided by Time Dependant Density Functional Theory (TDDFT). The extracted results, not only suggests a directional sensitivity on mechanical strain/load but also it exhibits a sensitivity to the types of exerted stress, which can be immensely important on mounting direction of crystal.
Please use this url to cite or link to this publication:
author
; and
organization
publishing date
type
Chapter in Book/Report/Conference proceeding
publication status
published
subject
keywords
Y2SiO5, first principles calculations, optical and mechanical properties, DFT, TDDFT
host publication
Proceeding to NSCM31
pages
6 pages
conference name
31st Nordic Seminar on Computational Mechanics, 2018
conference location
Umeå, Sweden
conference dates
2018-10-25 - 2018-10-26
project
Developing and modelling of a new generation of slow light systems
language
English
LU publication?
yes
id
e79f01ac-6d6c-4d26-a763-af5986a1d37b
date added to LUP
2018-10-16 14:31:43
date last changed
2018-11-21 21:42:28
@inproceedings{e79f01ac-6d6c-4d26-a763-af5986a1d37b,
  abstract     = {{The effects of mechanical load on optical properties of Y2SiO5 / Eu:Y2SiO5 crystals are investigated through application of first principles calculations. The crystals are first relaxed to reach equilibrium ground state using plane wave density functional theory (DFT). Once application of load on desired direction is performed the optical absorption profile of aforementioned crystals are plotted with the data provided by Time Dependant Density Functional Theory (TDDFT). The extracted results, not only suggests a directional sensitivity on mechanical strain/load but also it exhibits a sensitivity to the types of exerted stress, which can be immensely important on mounting direction of crystal.}},
  author       = {{Mirzai, Amin and Ahadi, Aylin and Melin, Solveig}},
  booktitle    = {{Proceeding to NSCM31}},
  keywords     = {{Y2SiO5, first principles calculations, optical and mechanical properties, DFT, TDDFT}},
  language     = {{eng}},
  title        = {{FIRST PRINCIPLES CALCLATIONS OF MECHANCICAL LOAD ON OPTICAL PROPERTIES of Eu:Y2SiO5}},
  year         = {{2018}},
}