Back to Search
Start Over
Ab initio investigation of the electronic structure, elastic and magnetic properties of quaternary Heusler alloy Cu2MnSn1-xInx (x = 0, 0.25, 0.5, 0.75, 1)
- Source :
- Revista Mexicana de Física. 65:468-474
- Publication Year :
- 2019
- Publisher :
- Sociedad Mexicana de Fisica A C, 2019.
-
Abstract
- Structural, elastic, electronic and magnetic properties of the quaternary Heusler alloys are calculated using the full-potential linearized augmented plane wave (FP-LAPW) method in the framework of the density functional theory (DFT) and implemented in WIEN2k code. The exchange-correlation potential is evaluated using the generalized gradient approximation (GGA) within the Perdew-Burke-Ernzerhof (PBE) parameterization. Our theoretically results provide predictions for the mixed in which no experimental and theoretical data are currently available. The lattice parameter and bulk modulus as well the elastic constants and their related elastic moduli for have been calculated. Also, the electronic properties including density of states and band structures indicate the metallic character for . Morever, this quaternary Heusler alloy is found to be ferromagnetic, ductile and anisotropic in nature.
- Subjects :
- Bulk modulus
Materials science
Condensed matter physics
010308 nuclear & particles physics
Ab initio
General Physics and Astronomy
Electronic structure
01 natural sciences
Education
WIEN2k
Condensed Matter::Materials Science
Ab initio quantum chemistry methods
0103 physical sciences
Density of states
Density functional theory
Elastic modulus
Subjects
Details
- ISSN :
- 26832224 and 0035001X
- Volume :
- 65
- Database :
- OpenAIRE
- Journal :
- Revista Mexicana de FĂsica
- Accession number :
- edsair.doi...........d2eccbdc725b26d2e9198b3d0f59ef3b