Work

Theoretical investigation of electronic, mechanical, piezoelectric and thermodynamic properties of half-heusler LiBeAsxSb1-x alloys

Year: 2023
Type: article
Abstract: This work is an investigation of the band structure and related properties of α-LiBeAsxSb1-x half-Heusler alloys. The computations were performed with the help of density functional theory, using the alchemical mixing approximation that ABINIT code offers. In addition, several thermodynamic quantities were examined and discussed. Our obtained results correspond to previous data. The investigated alloy system was found to be an indirect (Γ→X) semiconductor for all alloy contents x, ranging from zero to one. The current findings show that for an appropriate choice of alloy content and temperature, α-LiBeAsxSb1-x may provide other opportunities for advancing new physical properties that can be applicable to novel electronic devices.
Language: English
Open Access status: bronze
OpenAlex ID: W4383314880
FWCI: 0.121
Cites: 40
Cited by: 2
Related to: 10