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

被引：0
|
作者：
Benyettou, S. [1 ]
Saib, S. [1 ]
Bouarissa, N. [1 ]
Thatribud, A. [2 ]
机构：
[1] Univ Msila, Lab Mat Phys & Applicat, Msila 28000, Algeria
[2] Prince Songkla Univ, Fac Sci & Technol, Dept Sci, Div Phys, Pattani Campus, Pattani 94000, Thailand
来源：
PHYSICA SCRIPTA | 2023年 / 98卷 / 08期
关键词：
theoretical; investigation; electronic; mechanical; piezoelectric; thermodynamic; half-heusler alloys; ELASTIC-CONSTANTS; AB-INITIO; PHASE; ZINCBLENDE; STABILITY; PRESSURE; INN; GAN; ALN;
D O I：
10.1088/1402-4896/ace4fd
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
This work is an investigation of the band structure and related properties of & alpha;-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 (& UGamma;& RARR;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, & alpha;-LiBeAsxSb1-x may provide other opportunities for advancing new physical properties that can be applicable to novel electronic devices.
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页数：12
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