Structural, electronic, mechanical, thermal, and optical properties of UIr3 under pressure: A comprehensive DFT study

Structural, electronic, mechanical, thermal, and optical properties of UIr3 under pressure: A comprehensive DFT study

First-principles density functional theory calculations were performed to assess the pressure effect on structural, electronic, mechanical, thermal, and optical properties of cubic intermetallic UIr3. The calculated lattice parameter deviates from the experimental value by 0.40%, indicating the reli...

Full description

Bibliographic Details
Main Authors: Wasif Abu Dujana, Arpon Podder, Ovijit Das, Md. Solayman, M. T. Nasir, M. A. Rashid, Md Saiduzzaman, M. A. Hadi
Format: Article
Language:English
Published: AIP Publishing LLC 2021-10-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0064021

Internet

http://dx.doi.org/10.1063/5.0064021

Similar Items