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

Amin Mirzai; Aylin Ahadi; Solveig Melin

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

Department of Industrial and Mechanical Sciences

Research output: Chapter in Book/Report/Conference proceeding › Paper in conference proceeding › peer-review

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.

Original language	English
Title of host publication	Proceeding to NSCM31
Number of pages	6
Publication status	Published - 2018 Oct
Event	31st Nordic Seminar on Computational Mechanics, 2018 - Umeå, Sweden Duration: 2018 Oct 25 → 2018 Oct 26 Conference number: 31

Conference

Conference	31st Nordic Seminar on Computational Mechanics, 2018
Abbreviated title	NSCM
Country/Territory	Sweden
City	Umeå
Period	2018/10/25 → 2018/10/26

Subject classification (UKÄ)

Applied Mechanics

Developing and modelling of a new generation of slow light systems
Ahadi, A. (Researcher), Mirzai, A. (Researcher) & Melin, S. (Researcher)
2017/10/01 → 2022/11/01
Project: Research

Cite this

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title = "FIRST PRINCIPLES CALCLATIONS OF MECHANCICAL LOAD ON OPTICAL PROPERTIES of Eu:Y2SiO5",

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.",

keywords = "Y2SiO5, first principles calculations, optical and mechanical properties, DFT, TDDFT",

author = "Amin Mirzai and Aylin Ahadi and Solveig Melin",

year = "2018",

month = oct,

language = "English",

booktitle = "Proceeding to NSCM31",

note = "31st Nordic Seminar on Computational Mechanics, 2018 ; Conference date: 25-10-2018 Through 26-10-2018",

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TY - GEN

T1 - FIRST PRINCIPLES CALCLATIONS OF MECHANCICAL LOAD ON OPTICAL PROPERTIES of Eu:Y2SiO5

AU - Mirzai, Amin

AU - Ahadi, Aylin

AU - Melin, Solveig

N1 - Conference code: 31

PY - 2018/10

Y1 - 2018/10

N2 - 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.

AB - 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.

KW - Y2SiO5, first principles calculations, optical and mechanical properties, DFT, TDDFT

M3 - Paper in conference proceeding

BT - Proceeding to NSCM31

T2 - 31st Nordic Seminar on Computational Mechanics, 2018

Y2 - 25 October 2018 through 26 October 2018

ER -

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

Abstract

Conference

Subject classification (UKÄ)

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Projects

Developing and modelling of a new generation of slow light systems

Cite this