Investigating the structural, electronic, and elastic properties of Li-based quaternary Heusler alloy semiconductors using hybrid functional – HSE06 bandgap recalculations

Author:

Hebri Salem,Abdelli Abdel-Basset,Belfedal Nassir,Bensaid Djillali

Publisher

Elsevier BV

Subject

Materials Chemistry,Inorganic Chemistry,Physical and Theoretical Chemistry

Reference40 articles.

1. Magneto-electronic and thermoelectric properties of some Fe-based Heusler alloys;Bhat;J. Phys. Chem. Solids,2018

2. Analysis of electronic, thermal, and thermoelectric properties of the half-Heusler CrTiSi material using density functional theory;Bhat;J. Phys. Chem. Solids,2018

3. Synthesis, crystal structures Hirshfeld surface analysis and physico-chemical characterization of two new ZnII and CdII halidometallates;Rayes;J. Mater. Sci.: Mater. Electron.,2021

4. Growth, crystal structure, Hirshfeld surface analysis, DFT studies, physicochemical characterization, and cytotoxicity assays of novel organic triphosphate;Oueslati;J. Mol. Model.,2022

5. First-principles calculations to investigate mechanical, optoelectronic and thermoelectric properties of half-Heusler p-type semiconductor BaAgP;Parvin;Results Phys.,2021

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