Journal of New Technology and Materials
Volume 9, Numéro 1, Pages 10-15
2019-07-04

Structural, Electronic And Magnetic Properties Of Quaternary Heusler Compounds Coyfez And Coymnz (z = Si, Ge, Ga And Al): An Ab-initio Study



Authors : Torrichi Mohamed .

Abstract

We have studied electronic and magnetic structural properties of Quaternary Heusler alloys CoYXZ where X is a transition metal with 3d electrons (X=Fe and Mn) and Z is the main group element (Z = Si, Ge, Ga and Al). These calculations have been carried out via ab-initio simulations based on density functional theory (DFT) approach. We have explored the most stable structure among these materials in three different atomic arrangements (type-1, type-2, type-3). The structural stability of these compounds has studied from the calculation of their cohesion energy. The type-1 structure is found energetically more stable. According to our study, the quaternary compound CoYMnGa and CoYMnAl proves to be a half-metal ferromagnetic with a total magnetic moment of 4μB. While the quaternary compounds, CoYMnGe and CoYFeZ (Z=Si, Ge and Ga) seem to be not ferromagnetic, with zero point magnetic. Whereas, CoYMnSi, CoYMnGe and CoYFeAl are found as a ferromagnetic with magnetic moment of 1.91μB, 2.90μB and 4.29μB respectively. In addition, it is also divulged that half-metallicity in these compounds is closely related to arrangements of magnetic atoms in the structure of the Heusler. The magnetization of the compounds CoYFeZ and CoYMnZ comes mainly from the 4d electrons the of Yttrium (Y) atom and the 3d electrons of the Fe and Mn atoms.

Keywords

: Quaternary Heusler alloy, Half-metallic ferromagnetism, Electronic structures, Density functional theory.

Les articles similaires

The Effect Of Uniaxial Stress On Structural And Electronic Properties In Half-heusler Fevsb: Ab-initio Study

Benchehida Belkacem .  Abbassa Hamza .  Meskine Said .  Abbes El Habib . 
pages 89-96.

First-principles Investigation Of Magneto-electronic Properties And Band Jahn-teller Effects In Nicomnsi1-xalx Quaternary Heusler

Abbes El Habib .  Abbassa Hamza .  Meskine Said .  Bouhamou Imen .  Boukortt Abdelkader . 
pages 62-69.

Magnetic Investigation Of The Rhodium Based Full-heusler Material: Ab Initio Method

Boufadi Fatima Zohra . 
pages 43-48.

Electronic And Structural Properties Of Naznas Compound; An Ab-initio Study In The Tetragonal And Cubic α Phases

Noui S. .  Charifi Z. .  Baaziz H. .  Guezlane M. . 
pages 15-18.

Predictive Ab-initio Study Of Optoelectronic And Magnetic Properties Of Badyo3 New Perovskite

Labdelli Abbes . 
pages 9-16.

Formats de citation