Physical characteristics of CdZrO3 perovskite at different pressure for optoelectronic applicationShow others and affiliations
2020 (English)In: Journal of Materials Research and Technology, ISSN 2238-7854, E-ISSN 2214-0697, Vol. 9, no 5, p. 9965-9971Article in journal (Refereed) Published
Abstract [en]
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.
Place, publisher, year, edition, pages
Elsevier, 2020. Vol. 9, no 5, p. 9965-9971
Keywords [en]
Density functional theory, Band gap engineering, Mechanical properties, Optoelectronic properties
National Category
Other Physics Topics
Research subject
Applied Physics
Identifiers
URN: urn:nbn:se:ltu:diva-80542DOI: 10.1016/j.jmrt.2020.06.086ISI: 000579367500047Scopus ID: 2-s2.0-85092054927OAI: oai:DiVA.org:ltu-80542DiVA, id: diva2:1460709
Note
Godkänd;2020;Nivå 0;2020-08-25 (alebob)
2020-08-252020-08-252024-09-02Bibliographically approved