XPS spectra, electronic structure, and magnetic properties of RFe5Al7 intermetallics / Finkelstein L. D.,Efremov A. V.,Korotin M. A.,Andreev A. V.,Gorbunov D. I.,Mushnikov N. V.,Zhidkov I. S.,Kukharenko A. I.,Cholakh S. O.,Kurmaev E. Z. // JOURNAL OF ALLOYS AND COMPOUNDS. - 2018. - V. 733, l. . - P. 82-90.

ISSN/EISSN:

0925-8388 / 1873-4669

Type:

Article

Abstract:

The results of X-ray photoelectron spectroscopy measurements (core levels and valence bands) of RFe5Al7 (R = Lu, Tm, Er, Ho, Dy, Tb, Gd) single crystals are presented in comparison with the results of bulk magnetization studies and electronic structure calculations. It is shown that the increase of the Curie temperature in RFe5Al7 from Tm to Gd is associated with an increase of the indirect R 4f - Fe 3d exchange interaction at the expense of the multiplicity 2S + 1 (statistical weight) in the ground state L-2S+1(J) of R3+ ions. The nonmonotonic behavior of the ferrimagnetic compensation temperature, T-comp, as well as the values of the spontaneous magnetic moment, M-s, and formation energy, E-form, of the 4f(n) levels in R metals in a series from ErFe5Al7 to GdFe5Al7 are explained by the difference in the quantum numbers L, J and S of the ground state of R3+ ions, leading to a maximum value of Tcomp, Ms and Eform for the Dy-containing compound. The electronic structure of Gd/LuFe5Al7 is calculated using the GGA+U approach, on the basis of which the physical mechanism and relative strength of the interatomic R-Fe and Al-Fe interactions are considered, and also the difference in the magnetic moments of iron atoms in different structural positions is explained. (C) 2017 Elsevier B.V. All rights reserved.

Author keywords:

Rare-earth intermetallics; Magnetization; Exchange interactions; X-ray photoelectron spectroscopy; Electronic structure RARE-EARTH-METALS; CRYSTAL; STATES; 4F

DOI:

10.1016/j.jallcom.2017.10.294

Web of Science ID:

ISI:000415932500011

Соавторы в МНС:

Другие поля

Поле	Значение
Month	FEB 5
Publisher	ELSEVIER SCIENCE SA
Address	PO BOX 564, 1001 LAUSANNE, SWITZERLAND
Language	English
EISSN	1873-4669
Keywords-Plus	RARE-EARTH-METALS; CRYSTAL; STATES; 4F
Research-Areas	Chemistry; Materials Science; Metallurgy \& Metallurgical Engineering
Web-of-Science-Categories	Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy \& Metallurgical Engineering
Author-Email	ernst.kurmaev@gmail.com
ORCID-Numbers	Zhidkov, Ivan/0000-0001-8727-4730
Funding-Acknowledgement	Russian Science Foundation {[}15-12-10015]; HLD at HZDR; Czech Science Foundation {[}16-03593S]
Funding-Text	This work was supported by Russian Science Foundation (Project 15-12-10015). XPS measurements were supported by Government of the Russian Federation (Act 211, agreement No 02.A03.21.0006). We acknowledge the support of HLD at HZDR, member of the European Magnetic Field Laboratory (EMFL) for magnetization measurements, and Materials Growth and Measurement Laboratory (https://mgml.eu) and grant 16-03593S of Czech Science Foundation for single crystals growth.
Number-of-Cited-References	26
Journal-ISO	J. Alloy. Compd.
Doc-Delivery-Number	FN3WP