Physical characteristics of CdZrO3 perovskite at different pressure for optoelectronic application

Marryam Aslam, Aslam Khan, M. Asghar Hashmi, M. Sajjad, Eman Algrafy, Ghulam M. Mustafa, Asif Mahmood, Shahid M. Ramay

Research output: Journal PublicationArticlepeer-review

32 Citations (Scopus)

Abstract

A comprehensive investigation of the physical characteristics of any material provides beneficial information regarding its application viewpoint in different industries. Herein, we report the tunable mechanical and optoelectronic properties of cubic CdZrO3 under variable pressure up to 80 GPa using density functional theory (DFT). The pressure-induced band gap engineering reveals a fantastic fact of transformation of the indirect to direct band gap with increasing pressure. The dielectric response disclosed that optical parameters dragged towards higher energy with an increase of pressure, which unveiled the potential of CdZrO3 for optoelectronic applications. Effective change in optoelectronic is attributed to indirect to direct band gap transition. This study provides a gateway to how the optoelectronic properties of cubic CdZrO3 could be tuned by employing external pressure.

Original languageEnglish
Pages (from-to)9965-9971
Number of pages7
JournalJournal of Materials Research and Technology
Volume9
Issue number5
DOIs
Publication statusPublished - 2020
Externally publishedYes

Keywords

  • Band gap engineering
  • Density functional theory
  • Mechanical properties
  • Optoelectronic properties

ASJC Scopus subject areas

  • Ceramics and Composites
  • Biomaterials
  • Surfaces, Coatings and Films
  • Metals and Alloys

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