Physical characteristics of CdZrO3 perovskite at different pressure for optoelectronic application

Journal of Materials Research and Technology

Ghulam M. Mustafa¹  Shahid M. Ramay²  M. Sajjad³  Eman Algrafy⁴  Asif Mahmood⁵  M. Asghar Hashmi⁶  Aslam Khan⁶  Marryam Aslam⁶ 

[1] Basic and Applied Scientific Research Center, Imam Abdulrahman Bin Faisal University, P. O. Box 1982, 31441, Dammam, Saudi Arabia;Corresponding author.;Applied Physics, Division of Materials Science, Department of Engineering Sciences and Mathematics, Luleå University of Technology, SE-97187 Luleå, Sweden;Department of Physics, College of Science, Imam Abdulrahman Bin Faisal University, P. O. Box 1982, 31441, Dammam, Saudi Arabia;Department of Physics, University of Lahore, Lahore, 53700, Pakistan;Physics Department, KFUEIT, Rahim Yar Khan, Punjab, Pakistan;

关键词: Density functional theory;    Band gap engineering;    Mechanical properties;    Optoelectronic properties;   

DOI  :  

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown