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.

引用

页数：12

共 50 条

[21] Theoretical Prediction of Structural Stability, Electronic, Elastic, and Magnetic Properties of the New Half Metallic Half-Heusler XSrC (X = Li and Na) Alloys
Marbouh, N.
Khelfaoui, F.
Abada, A.
Belabbas, M.
Bentayeb, A.
SPIN, 2022, 12 (04)
[22] A first-principles investigation of the thermodynamic and mechanical properties of Ni-Ti-Sn Heusler and half-Heusler materials
Hermet, P.
Niedziolka, K.
Jund, P.
RSC ADVANCES, 2013, 3 (44) : 22176 - 22184
[23] Theoretical Insight into the Stability, Magneto-electronic and Thermoelectric Properties of XCrSb (X: Fe, Ni) Half-Heusler Alloys and Their Superlattices
Y. Rached
M. Caid
H. Rached
M. Merabet
S. Benalia
S. Al-Qaisi
L. Djoudi
D. Rached
Journal of Superconductivity and Novel Magnetism, 2022, 35 : 875 - 887
[24] Mechanical and thermoelectric properties of FeVSb-based half-Heusler alloys
El-Khouly, A.
Adam, A. M.
Ibrahim, E. M. M.
Nafady, Ayman
Karpenkov, D.
Novitskii, A.
Voronin, A.
Khovaylo, V.
Elsehly, E. M.
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 886
[25] STRUCTURAL, THERMAL, AND ELECTRONIC INVESTIGATION OF ZrCo1-xNixBi (x = 0, 0.25, 0.75 and 1) HALF-HEUSLER ALLOYS
Al-Elaimi, Mahmoud
EAST EUROPEAN JOURNAL OF PHYSICS, 2022, (02): : 103 - 111
[26] Theoretical Insight into the Stability, Magneto-electronic and Thermoelectric Properties of XCrSb (X: Fe, Ni) Half-Heusler Alloys and Their Superlattices
Rached, Y.
Caid, M.
Rached, H.
Merabet, M.
Benalia, S.
Al-Qaisi, S.
Djoudi, L.
Rached, D.
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2022, 35 (03) : 875 - 887
[27] Theoretical Study of the Structural, Magnetic, Electronic and Elastic Properties of VSb-Based Half-Heusler Alloys
Sofrani, Fatima
Boudia, Keltouma
Cheriet, Abderrahmane
Alhussiene, Akram
Aissani, Linda
JOURNAL OF ELECTRONIC MATERIALS, 2023, 52 (08) : 5727 - 5737
[28] On the interplay of thermodynamic and structural properties of LiZn-based half-Heusler alloys
Ettah, E. B.
Minakova, Kseniia
Ishaje, M. E.
Sirenko, Valentyna
LOW TEMPERATURE PHYSICS, 2023, 49 (11) : 1263 - 1267
[29] Exploring the multifaceted properties: structural, electronic, magnetic, mechanical, thermodynamic, transport, and optical characteristics of rhodium-based half-Heusler alloys
Gurunani, Bharti
Gupta, Dinesh C.
JOURNAL OF MATERIALS SCIENCE, 2024, 59 (27) : 12502 - 12525
[30] Theoretical Investigation of Structural, Electronic, Magnetic, and Mechanical Properties of Quaternary Heusler Alloys CoVTiX (X = As, Si)
Dj Mokhtari
H. Baaziz
Dj Guendouz
Z. Charifi
B. Hamad
Journal of Superconductivity and Novel Magnetism, 2018, 31 : 3625 - 3636

← 1 2 3 4 5 →