Preprint Article Version 1 This version is not peer-reviewed

Effect of Mn3 Substitution on the Electric Field Gradient in HoFe1-xMnxO3 (X=0.0–0.7) System

Yuriy Knyazev
,
Maksim S. Pavlovskii
,
Timofei Balaev
,
Sergey Semenov
,
Stanislav Skorobogatov
,
Aleksey Sokolov
,
Denis M. Gokhfeld
* ,
Kirill Shaykhutdinov
Version 1 : Received: 4 November 2024 / Approved: 4 November 2024 / Online: 4 November 2024 (10:34:55 CET)

How to cite: Knyazev, Y.; Pavlovskii, M. S.; Balaev, T.; Semenov, S.; Skorobogatov, S.; Sokolov, A.; Gokhfeld, D. M.; Shaykhutdinov, K. Effect of Mn3 Substitution on the Electric Field Gradient in HoFe1-xMnxO3 (X=0.0–0.7) System. Preprints 2024, 2024110175. https://doi.org/10.20944/preprints202411.0175.v1 Knyazev, Y.; Pavlovskii, M. S.; Balaev, T.; Semenov, S.; Skorobogatov, S.; Sokolov, A.; Gokhfeld, D. M.; Shaykhutdinov, K. Effect of Mn3 Substitution on the Electric Field Gradient in HoFe1-xMnxO3 (X=0.0–0.7) System. Preprints 2024, 2024110175. https://doi.org/10.20944/preprints202411.0175.v1

Abstract

The effect of the Mn3+ ion on the local distortions of the FeO6 octahedra in orthoferrite samples was investigated. Mössbauer spectroscopy measurements for a series of the HoFe1−xMnxO3 (x=0.0−0.7) orthoferrite samples with space group Pnma was carried out at temperatures above the Néel point (700 K). The electric field gradient (EFG) tensor on Fe ions for these compounds was found using the first-principle calculations. The concentration dependence of the quadrupole splitting was resulted from the experimental and theoretical data. The absence of an electron contribution to the quadrupole splitting at all the manganese concentrations was demonstrated. It was shown by the theoretical calculations that the values of all the electric field gradient components increase significantly with the manganese concentration in the system, and the eigenvectors Vxx and Vyy of the electric field gradient tensor sharply change their direction at concentrations of x > 0.1.

Keywords

orthoferrites; electric field gradient; Mössbauer spectroscopy; first-principle calculations

Subject

Physical Sciences, Condensed Matter Physics

Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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