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

Forskningsoutput: Kapitel i bok/rapport/Conference proceedingKonferenspaper i proceeding

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.

Detaljer

Författare
Enheter & grupper
Forskningsområden

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Teknisk mekanik

Nyckelord

  • Y2SiO5, first principles calculations, optical and mechanical properties, DFT, TDDFT
Originalspråkengelska
Titel på värdpublikationProceeding to NSCM31
Antal sidor6
StatusPublished - 2018 okt
PublikationskategoriForskning
Peer review utfördJa
Evenemang31st Nordic Seminar on Computational Mechanics, 2018 - Umeå, Sverige
Varaktighet: 2018 okt 252018 okt 26
Konferensnummer: 31

Konferens

Konferens31st Nordic Seminar on Computational Mechanics, 2018
Förkortad titelNSCM
LandSverige
OrtUmeå
Period2018/10/252018/10/26

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