First-principles calculation for phonon and optoelectronic properties of CsSnI3

Amreen Bano, Preeti Khare, N. K. Gaur

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

7 Scopus citations

Abstract

The CsSnI3 crystal belongs to an interesting class of semiconducting perovskite which is currently used in thin-film field-effect transistor made of organics-inorganics hybrid compounds. The benefit of using hybrid compounds resides in their ability to combine the advantage of these two classes of compounds: the high mobility of inorganic materials and the ease of processing of organic materials. In spite of the growing attention of this new material, very little is known about the dielectric and optical properties of the inorganic part of this compounds. A theoretical study of phonon, dielectric and optical properties of metal-halide cubic perovskite, CsSnI3 is presented, using first-principles calculations with planewave pseudopotential method as personified in PWSCF code. In this approach local density approximation (LDA) is used for exchange-correlation potential. The optical properties shows that this compound has applications in optoelectronic devices.

Original languageEnglish
Title of host publicationDAE Solid State Physics Symposium 2015
EditorsR. Chitra, Shovit Bhattacharya, N. K. Sahoo
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735413788
DOIs
StatePublished - 23 May 2016
Externally publishedYes
Event60th DAE Solid State Physics Symposium 2015 - Noida, Uttar Pradesh, India
Duration: 21 Dec 201525 Dec 2015

Publication series

NameAIP Conference Proceedings
Volume1731
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference60th DAE Solid State Physics Symposium 2015
Country/TerritoryIndia
CityNoida, Uttar Pradesh
Period21/12/1525/12/15

Bibliographical note

Publisher Copyright:
© 2016 Author(s).

Keywords

  • Dielectric and optical properties
  • First-principles method
  • Phonon dispersion curve

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