An Ab-initio Investigation of LiBeX (X = Sb, Bi) Semiconductors For Opto-electronic Applications
Muhammad Mazhar,
Atia Atiq,
Qurat Tul Ain
et al.
Abstract:Half Heusler compounds possess a broad array of characteristics which make them well suited materials for diverse functional applications. The extant study intended to scrutinize the structural, phononic, opto-electronic, elasto-mechanical and pressure induced properties of LiBeX (X = Sb, Bi) compounds. This investigation employed DFT based WIEN2k and VASP simulation packages by considering PBE-GGA, WC and TB-mBJ exchange correlation schemes to better corroborate the outcomes. The investigated compounds have s… Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.