A first-principle study on some quanternary Heusler alloys with 4d and 3d transition metal elements

TL;DR

This study uses first-principles calculations to analyze the magnetic and electronic properties of 21 quaternary Heusler alloys containing 4d and 3d transition metals, identifying several with promising half-metallic characteristics.

Contribution

It provides a comprehensive theoretical analysis of specific quaternary Heusler alloys, highlighting their potential as half-metals for spintronic applications.

Findings

Identification of six alloys with large spin-flip gaps

Detailed electronic band structure analysis

Summary of 21 quaternary Heusler alloys studied

Abstract

In this letter, we investigate the magnetic properties, electronic structures, Slater-Pauling behaviours of some quanternary Heusler alloys with 4d and 3d transition metal elements. The energy levels of the minority-spin electronic band structures for all our calculated alloys are discussed. We have summaried 21 quanternary Heusler alloys. Our calculations indicate that the half metals ZrCoCrSi, ZrCoCrIn, ZrCoFeSi, ZrFeVAl, ZrFeVGa and NbFeCrAl have large spin-flip gaps.