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Magnetism and Electronic Structure of Intermetallic Compounds
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Magnetism and Electronic Structure of Intermetallic Compounds

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: closed (31 July 2023) | Viewed by 4285

Special Issue Editor

Prof. Dr. Grażyna Chełkowska

E-Mail Website
Guest Editor
Department of Solid State Physics, A. Chełkowski Institute of Physics and Silesian Centre for Education and Interdisciplinary Research, University of Silesia, 75 Pułku Piechoty 1, 41-500 Chorzów, Poland
Interests: rare earth intermetallic compounds, bulk and nanomaterials; magnetic and electronic transport properties; electronic structure; XPS measurements
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The intermetallic compounds represent a broad class of materials with interesting physical properties. Of particular interest are magnetic intermetallic compounds, whose properties are often discussed in the context of their electron structure. Interesting phenomena observed in these materials also occur due to changes in their chemical composition, high magnetic fields, or high pressures. Some intermetallic compounds play an essential role in magnetic refrigeration or thermoelectricity. Some of them are expected to be suitable spintronic materials. One of the hot topics is the relation between their magnetic properties, microstructure, and electronic structure. In recent years, the study of bulk intermetallic compounds has been extended to lower-dimensional materials. Thanks to modern experimental techniques and advanced theoretical calculations, many new achievements have become possible.

This Special Issue expects to collect articles containing recent progress and new achievements regarding all aspects of magnetism and the electronic structure of intermetallic compounds. Original results on the fabrication, characterization, experimental investigation, theoretical calculations, and practical application of these compounds are welcome.

Prof. Dr. Grażyna Chełkowska
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • intermetallic compounds
  • magnetic properties
  • spectroscopic methods
  • electronic structure calculations

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Published Papers (2 papers)

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Research

16 pages, 5286 KiB  
Article
Semimetallic, Half-Metallic, Semiconducting, and Metallic States in Gd-Sb Compounds
by Semyon T. Baidak and Alexey V. Lukoyanov
Int. J. Mol. Sci. 2023, 24(10), 8778; https://doi.org/10.3390/ijms24108778 - 15 May 2023
Cited by 7 | Viewed by 2195
Abstract
The electronic and band structures of the Gd- and Sb-based intermetallic materials have been explored using the theoretical ab initio approach, accounting for strong electron correlations of the Gd-4f electrons. Some of these compounds are being actively investigated because of topological features in [...] Read more.
The electronic and band structures of the Gd- and Sb-based intermetallic materials have been explored using the theoretical ab initio approach, accounting for strong electron correlations of the Gd-4f electrons. Some of these compounds are being actively investigated because of topological features in these quantum materials. Five compounds were investigated theoretically in this work to demonstrate the variety of electronic properties in the Gd-Sb-based family: GdSb, GdNiSb, Gd4Sb3, GdSbS2O, and GdSb2. The GdSb compound is a semimetal with the topological nonsymmetric electron pocket along the high-symmetry points Γ–X–W, and hole pockets along the L–Γ–X path. Our calculations show that the addition of nickel to the system results in the energy gap, and we obtained a semiconductor with indirect gap of 0.38 eV for the GdNiSb intermetallic compound. However, a quite different electronic structure has been found in the chemical composition Gd4Sb3; this compound is a half-metal with the energy gap of 0.67 eV only in the minority spin projection. The molecular GdSbS2O compound with S and O in it is found to be a semiconductor with a small indirect gap. The GdSb2 intermetallic compound is found to have a metallic state in the electronic structure; remarkably, the band structure of GdSb2 has a Dirac-cone-like feature near the Fermi energy between high-symmetry points Г and S, and these two Dirac cones are split by spin-orbit coupling. Thus, studying the electronic and band structure of several reported and new Gd-Sb compounds revealed a variety of the semimetallic, half-metallic, semiconducting, or metallic states, as well topological features in some of them. The latter can lead to outstanding transport and magnetic properties, such as a large magnetoresistance, which makes Gd-Sb-based materials very promising for applications. Full article
(This article belongs to the Special Issue Magnetism and Electronic Structure of Intermetallic Compounds)
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19 pages, 6882 KiB  
Article
Effect of Ni Substitution on the Structural, Magnetic, and Electronic Structure Properties of Gd0.4Tb0.6(Co1−xNix)2 Compounds
by Marcin Sikora, Anna Bajorek, Artur Chrobak, Józef Deniszczyk, Grzegorz Ziółkowski and Grażyna Chełkowska
Int. J. Mol. Sci. 2022, 23(21), 13182; https://doi.org/10.3390/ijms232113182 - 29 Oct 2022
Cited by 1 | Viewed by 1626
Abstract
The comprehensive research of magnetic and electronic structure properties of the new class of Gd0.4Tb0.6(Co1−xNix)2 compounds, crystallizing in the cubic Laves phase (C15), is reported. The magnetic study was completed with electrical resistivity and [...] Read more.
The comprehensive research of magnetic and electronic structure properties of the new class of Gd0.4Tb0.6(Co1−xNix)2 compounds, crystallizing in the cubic Laves phase (C15), is reported. The magnetic study was completed with electrical resistivity and electronic structure investigations. The analysis of Arrott plots supplemented by a study of temperature dependency of Landau coefficients revealed that all compounds undergo a magnetic phase transition of the second type. Based on magnetic isotherms, magnetic entropy change (ΔSM) was determined for many values of the magnetic field change (μ0H), which varied from 0.1 to 7 T. For each compound, the ΔSM had a maximum around the Curie temperature. Both values of the |ΔSMmax| and relative cooling power RCP parameters increased with increasing nickel content. It is shown that structural disorder upon Co/Ni substitution influences some magnetic parameters. The magnetic moment values of Co atoms determined from different methods are quantitatively consistent. From the M(T) dependency, the exchange integrals JRR, JRT, and JTT between rare-earths (R) and transition metal (T) moments were evaluated within the mean-field theory (MFT) approach. The experimental study of the electronic structure performed with the use of the X-ray photoelectron spectroscopy (XPS) was completed by calculations using the full-potential linearized augmented plane waves (FP-LAPW) method based on the density functional theory (DFT). The calculations explained experimentally observed changes in the XPS valence band spectra upon the Ni/Co substitution. Full article
(This article belongs to the Special Issue Magnetism and Electronic Structure of Intermetallic Compounds)
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