FIRST PRINCIPLES CALCLATIONS OF MECHANCICAL LOAD ON OPTICAL PROPERTIES of Eu:Y2SiO5
(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:
https://lup.lub.lu.se/record/e79f01ac-6d6c-4d26-a763-af5986a1d37b
- author
- Mirzai, Amin LU ; Ahadi, Aylin LU and Melin, Solveig LU
- organization
- publishing date
- 2018-10
- 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
- UmeƄ, 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}}, }