Composition-Induced Magnetic Transition in GdMn1-xTixSi Intermetallic Compounds for x = 0–1

Roman D Mukhachev,Alexey V Lukoyanov

doi:10.3390/met11081296

Roman D Mukhachev, Alexey V Lukoyanov

Open Access

https://doi.org/10.3390/met11081296

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Abstract

Magnetic intermetallic compounds based on rare earth elements and 3d transition metals are widely investigated due to the functionality of their physical properties and their variety of possible applications. In this work, we investigated the features of the electronic structure and magnetic properties of ternary intermetallic compounds based on gadolinium GdMn1-xTixSi, in the framework of the DFT + U method. Analysis of the densities of electronic states and magnetic moments of ions in Ti-doped GdMnSi showed a significant change in the magnetic properties depending on the contents of Mn and Ti. Together with the magnetic moment, an increase in the density of electronic states at the Fermi energy was found in almost all GdMn1-xTixSi compositions, which may indicate a significant change in the transport properties of intermetallic compounds. Together with the expected Curie temperatures above 300 K, the revealed changes in the magnetic characteristics and electronic structure make the GdMn1-xTixSi intermetallic system promising for use in microelectronic applications.

Highlights

Researchers have paid much attention to magnetic cooling based on the magnetocaloric effect of solid-state working substances [1]
Due to the various crystal structures, unusual magnetic and electrical properties have been found in these compounds, such as complex magnetic orderings, valence fluctuations, unusual types of superconductivity, heavy fermion behavior, metamagnetism, spin glass, memory effect, magnetoresistance, magnetocaloric effect, etc. [5,6,7,8]
We investigated GdMn1-x Tix Si compounds with a tetragonal crystal structure of the CeFeSi-type with 2 formula units per unit cell

Summary

Introduction

Researchers have paid much attention to magnetic cooling based on the magnetocaloric effect of solid-state working substances [1]. RTX ternary compounds (R = rare earth elements, T = 3d/4d/5d transition metals, and X = p elements) are a huge family of intermetallic compounds [2,3]. Most of these compounds crystallize into hexagonal, orthorhombic, and tetragonal crystal structures [2,4]. [5,6,7,8] These compounds have been known for a long time, they have recently attracted greater interest, since they exhibit enormous magnitudes of the magnetocaloric effect and magnetoresistance [7,9,10]. The magnetic ordering temperatures in RTX range from very low temperatures to temperatures well above room temperature, for example, reaching 510 K in TbMnGe [11]

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