1. bookVolume 63 (2021): Issue 1 (December 2021)
Journal Details
License
Format
Journal
eISSN
2784-1057
First Published
15 Dec 2012
Publication timeframe
1 time per year
Languages
English
access type Open Access

Ferromagnetic Half-Metal for Spintronic Applications: Ab-Initio Calculation

Published Online: 22 Dec 2021
Volume & Issue: Volume 63 (2021) - Issue 1 (December 2021)
Page range: 14 - 25
Received: 21 Oct 2020
Accepted: 16 Feb 2021
Journal Details
License
Format
Journal
eISSN
2784-1057
First Published
15 Dec 2012
Publication timeframe
1 time per year
Languages
English
Abstract

The density functional theory (DFT) is used to study the structural, electronic, magnetic properties of Heusler Alloy compounds PdCoMnAl. The calculations are performed via FP-LAPW computational approaches as part of the generalized gradient approximation GGA and modified Becke–Johnson TB-mBJ for exchange-correlation potential. The prediction of the structure of the energy bands and of the densities of states shows a strong hybridization between the states d of the atoms of the transition metals of high valence (Pd) and the states d of the atoms of the transition metal of low valence (Mn) and (Co), which generates a half-metallic gap. In addition, the densities of total and partial states (PDOS) and the results of magnetic spin moments reveal that this compound is stable and ideal half-metallic ferromagnetic. The effects of the unit cell volume on the half-metallic and magnetic properties are crucial. It is interesting to note that our results of the total magnetic moment for PdCoMnAl equal to 5 µB per unit cell, nicely follow the rule µtot = Zt-18.

Keywords

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