Title :

Structural, magneto-electronic and thermophysical properties of the new d(0) quaternary heusler compounds ksrcz (z =p, as, sb)

Author(s) :

Taleb, A. [Auteur]
Chahed, A. [Auteur]
Boukli, M. A. [Auteur]
Rozale, H. [Auteur]
Amrani, B. [Auteur]
Rahmoune, M. [Auteur]
SAYEDE, Adlane [Auteur]
UCCS Équipe Couches Minces & Nanomatériaux

Journal title :

Revista Mexicana de Fisica

Abbreviated title :

Rev. Mex. Fis.

Volume number :

66

Pages :

265-272

Publication date :

2020-05-01

ISSN :

0035-001X

English keyword(s) :

thermoelectric properties
Quaternary heusler compounds
electronic structures
magnetic properties

HAL domain(s) :

Chimie/Chimie inorganique

English abstract : [en]

Investigation of band structure and thermo-physical response of the d0 new quaternary Heusler compounds KSrCZ (Z = P, As, Sb) within the frame work of density functional theory with full potential linearized augmented plane ...
Show more >Investigation of band structure and thermo-physical response of the d0 new quaternary Heusler compounds KSrCZ (Z = P, As, Sb) within the frame work of density functional theory with full potential linearized augmented plane wave method has been analyzed. Results showed that type-Y3 is the most favorable atomic arrangement. All the compounds are found to be half-metallic ferromagnetic materials with an integer magnetic moment of 2.00 μB and a half-metallic gap EHM of 0.292, 0.234, and 0.351 eV, respectively. The half-metallicity of KSrCZ (Z = P, As, Sb) compounds can be kept in a quite large hydrostatic strain. Thermoelectric properties of the KSrCZ (Z = P, As, Sb) materials are additionally computed over an extensive variety of temperature and it is discovered that all compounds demonstrates higher figure of merit. The properties of half-metallicity and higher Seebeck coefficient makes these materials a promising candidates for thermoelectric and spintronic device applications.Show less >

Language :

Anglais

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

CNRS
Centrale Lille
ENSCL
Univ. Artois
Université de Lille

Collections :

• Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181

Research team(s) :

Couches minces & nanomatériaux (CMNM)

Submission date :

2022-03-02T07:14:34Z
2024-02-06T17:37:24Z