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Magnetic Properties and the Electronic Structure of the Gd(0.4)Tb(0.6)Co(2) Compound

We report on the comprehensive experimental and theoretical studies of magnetic and electronic structural properties of the Gd(0.4)Tb(0.6)Co(2) compound crystallization in the cubic Laves phase (C15). We present new results and compare them to those reported earlier. The magnetic study was completed...

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Detalles Bibliográficos
Autores principales: Sikora, Marcin, Bajorek, Anna, Chrobak, Artur, Deniszczyk, Józef, Ziółkowski, Grzegorz, Chełkowska, Grażyna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7730538/
https://www.ncbi.nlm.nih.gov/pubmed/33271989
http://dx.doi.org/10.3390/ma13235481
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author Sikora, Marcin
Bajorek, Anna
Chrobak, Artur
Deniszczyk, Józef
Ziółkowski, Grzegorz
Chełkowska, Grażyna
author_facet Sikora, Marcin
Bajorek, Anna
Chrobak, Artur
Deniszczyk, Józef
Ziółkowski, Grzegorz
Chełkowska, Grażyna
author_sort Sikora, Marcin
collection PubMed
description We report on the comprehensive experimental and theoretical studies of magnetic and electronic structural properties of the Gd(0.4)Tb(0.6)Co(2) compound crystallization in the cubic Laves phase (C15). We present new results and compare them to those reported earlier. The magnetic study was completed with electronic structure investigations. Based on magnetic isotherms, magnetic entropy change (ΔS(M)) was determined for many values of the magnetic field change (Δμ(0)H), which varied from 0.1 to 7 T. In each case, the ΔS(M) had a maximum around room temperature. The analysis of Arrott plots supplemented by a study of temperature dependency of Landau coefficients revealed that the compound undergoes a magnetic phase transition of the second type. From the M(T) dependency, the exchange integrals between rare-earth R-R (J(RR)), R-Co (J(RCo)), and Co-Co (J(CoCo)) atoms were evaluated within the mean-field theory approach. The electronic structure was determined using the X-ray photoelectron spectroscopy (XPS) method as well as by calculations using the density functional theory (DFT) based Full Potential Linearized Augmented Plane Waves (FP-LAPW) method. The comparison of results of ab initio calculations with the experimental data indicates that near T(C) the XPS spectrum collects excitations of electrons from Co3d states with different values of exchange splitting. The values of the magnetic moment on Co atoms determined from magnetic measurements, estimated from the XPS spectra, and results from ab initio calculations are quantitatively consistent.
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spelling pubmed-77305382020-12-12 Magnetic Properties and the Electronic Structure of the Gd(0.4)Tb(0.6)Co(2) Compound Sikora, Marcin Bajorek, Anna Chrobak, Artur Deniszczyk, Józef Ziółkowski, Grzegorz Chełkowska, Grażyna Materials (Basel) Article We report on the comprehensive experimental and theoretical studies of magnetic and electronic structural properties of the Gd(0.4)Tb(0.6)Co(2) compound crystallization in the cubic Laves phase (C15). We present new results and compare them to those reported earlier. The magnetic study was completed with electronic structure investigations. Based on magnetic isotherms, magnetic entropy change (ΔS(M)) was determined for many values of the magnetic field change (Δμ(0)H), which varied from 0.1 to 7 T. In each case, the ΔS(M) had a maximum around room temperature. The analysis of Arrott plots supplemented by a study of temperature dependency of Landau coefficients revealed that the compound undergoes a magnetic phase transition of the second type. From the M(T) dependency, the exchange integrals between rare-earth R-R (J(RR)), R-Co (J(RCo)), and Co-Co (J(CoCo)) atoms were evaluated within the mean-field theory approach. The electronic structure was determined using the X-ray photoelectron spectroscopy (XPS) method as well as by calculations using the density functional theory (DFT) based Full Potential Linearized Augmented Plane Waves (FP-LAPW) method. The comparison of results of ab initio calculations with the experimental data indicates that near T(C) the XPS spectrum collects excitations of electrons from Co3d states with different values of exchange splitting. The values of the magnetic moment on Co atoms determined from magnetic measurements, estimated from the XPS spectra, and results from ab initio calculations are quantitatively consistent. MDPI 2020-12-01 /pmc/articles/PMC7730538/ /pubmed/33271989 http://dx.doi.org/10.3390/ma13235481 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Sikora, Marcin
Bajorek, Anna
Chrobak, Artur
Deniszczyk, Józef
Ziółkowski, Grzegorz
Chełkowska, Grażyna
Magnetic Properties and the Electronic Structure of the Gd(0.4)Tb(0.6)Co(2) Compound
title Magnetic Properties and the Electronic Structure of the Gd(0.4)Tb(0.6)Co(2) Compound
title_full Magnetic Properties and the Electronic Structure of the Gd(0.4)Tb(0.6)Co(2) Compound
title_fullStr Magnetic Properties and the Electronic Structure of the Gd(0.4)Tb(0.6)Co(2) Compound
title_full_unstemmed Magnetic Properties and the Electronic Structure of the Gd(0.4)Tb(0.6)Co(2) Compound
title_short Magnetic Properties and the Electronic Structure of the Gd(0.4)Tb(0.6)Co(2) Compound
title_sort magnetic properties and the electronic structure of the gd(0.4)tb(0.6)co(2) compound
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7730538/
https://www.ncbi.nlm.nih.gov/pubmed/33271989
http://dx.doi.org/10.3390/ma13235481
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