The Effect of Mn<sup>3+</sup> Substitution on the Electric Field Gradient in a HoFe<sub>1−<i>x</i></sub>Mn<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0–0.7) System
The effect of the Mn<sup>3+</sup> ion on the local distortions of FeO<sub>6</sub> octahedra in orthoferrite samples was investigated. Mössbauer spectroscopy measurements for a series of <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" displa...
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2024-11-01
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| author | Yuriy V. Knyazev Maksim S. Pavlovskii Timofei D. Balaev Sergey V. Semenov Stanislav A. Skorobogatov Aleksey E. Sokolov Denis M. Gokhfeld Kirill A. Shaykhutdinov |
| author_facet | Yuriy V. Knyazev Maksim S. Pavlovskii Timofei D. Balaev Sergey V. Semenov Stanislav A. Skorobogatov Aleksey E. Sokolov Denis M. Gokhfeld Kirill A. Shaykhutdinov |
| author_sort | Yuriy V. Knyazev |
| collection | DOAJ |
| description | The effect of the Mn<sup>3+</sup> ion on the local distortions of FeO<sub>6</sub> octahedra in orthoferrite samples was investigated. Mössbauer spectroscopy measurements for a series of <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mrow><mi>HoFe</mi></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub><msub><mrow><mi>Mn</mi></mrow><mi>x</mi></msub><msub><mi mathvariant="normal">O</mi><mn>3</mn></msub></mrow></semantics></math></inline-formula> (<i>x</i> = 0–0.7) orthoferrite samples with the space group <i>Pnma</i> were 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 first-principle calculations. The concentration dependence of quadrupole splitting was obtained using experimental and theoretical data. Mn<sup>3+</sup> cations were found to affect the Mössbauer spectra mainly due to distortions of the crystal lattice. Theoretical calculations show that the values of all electric field gradient components increase significantly with the manganese concentration in the system, and the eigenvectors <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi mathvariant="bold">e</mi><mi mathvariant="bold">xx</mi></msub></semantics></math></inline-formula> and <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi mathvariant="bold">e</mi><mi mathvariant="bold">yy</mi></msub></semantics></math></inline-formula> of the electric field gradient tensor sharply change their direction at concentrations of <i>x</i> > 0.1. |
| format | Article |
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| institution | Kabale University |
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| publishDate | 2024-11-01 |
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| spelling | doaj-art-b391a95fbb2848dbbcf0ce9780413cf62024-12-27T14:19:39ZengMDPI AGCrystals2073-43522024-11-011412102510.3390/cryst14121025The Effect of Mn<sup>3+</sup> Substitution on the Electric Field Gradient in a HoFe<sub>1−<i>x</i></sub>Mn<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0–0.7) SystemYuriy V. Knyazev0Maksim S. Pavlovskii1Timofei D. Balaev2Sergey V. Semenov3Stanislav A. Skorobogatov4Aleksey E. Sokolov5Denis M. Gokhfeld6Kirill A. Shaykhutdinov7Kirensky Institute of Physics, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Krasnoyarsk 660036, RussiaKirensky Institute of Physics, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Krasnoyarsk 660036, RussiaKirensky Institute of Physics, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Krasnoyarsk 660036, RussiaKirensky Institute of Physics, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Krasnoyarsk 660036, RussiaKirensky Institute of Physics, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Krasnoyarsk 660036, RussiaKirensky Institute of Physics, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Krasnoyarsk 660036, RussiaKirensky Institute of Physics, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Krasnoyarsk 660036, RussiaKirensky Institute of Physics, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Krasnoyarsk 660036, RussiaThe effect of the Mn<sup>3+</sup> ion on the local distortions of FeO<sub>6</sub> octahedra in orthoferrite samples was investigated. Mössbauer spectroscopy measurements for a series of <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mrow><mi>HoFe</mi></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub><msub><mrow><mi>Mn</mi></mrow><mi>x</mi></msub><msub><mi mathvariant="normal">O</mi><mn>3</mn></msub></mrow></semantics></math></inline-formula> (<i>x</i> = 0–0.7) orthoferrite samples with the space group <i>Pnma</i> were 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 first-principle calculations. The concentration dependence of quadrupole splitting was obtained using experimental and theoretical data. Mn<sup>3+</sup> cations were found to affect the Mössbauer spectra mainly due to distortions of the crystal lattice. Theoretical calculations show that the values of all electric field gradient components increase significantly with the manganese concentration in the system, and the eigenvectors <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi mathvariant="bold">e</mi><mi mathvariant="bold">xx</mi></msub></semantics></math></inline-formula> and <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi mathvariant="bold">e</mi><mi mathvariant="bold">yy</mi></msub></semantics></math></inline-formula> of the electric field gradient tensor sharply change their direction at concentrations of <i>x</i> > 0.1.https://www.mdpi.com/2073-4352/14/12/1025orthoferriteselectric field gradientMössbauer spectroscopyfirst-principle calculations |
| spellingShingle | Yuriy V. Knyazev Maksim S. Pavlovskii Timofei D. Balaev Sergey V. Semenov Stanislav A. Skorobogatov Aleksey E. Sokolov Denis M. Gokhfeld Kirill A. Shaykhutdinov The Effect of Mn<sup>3+</sup> Substitution on the Electric Field Gradient in a HoFe<sub>1−<i>x</i></sub>Mn<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0–0.7) System Crystals orthoferrites electric field gradient Mössbauer spectroscopy first-principle calculations |
| title | The Effect of Mn<sup>3+</sup> Substitution on the Electric Field Gradient in a HoFe<sub>1−<i>x</i></sub>Mn<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0–0.7) System |
| title_full | The Effect of Mn<sup>3+</sup> Substitution on the Electric Field Gradient in a HoFe<sub>1−<i>x</i></sub>Mn<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0–0.7) System |
| title_fullStr | The Effect of Mn<sup>3+</sup> Substitution on the Electric Field Gradient in a HoFe<sub>1−<i>x</i></sub>Mn<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0–0.7) System |
| title_full_unstemmed | The Effect of Mn<sup>3+</sup> Substitution on the Electric Field Gradient in a HoFe<sub>1−<i>x</i></sub>Mn<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0–0.7) System |
| title_short | The Effect of Mn<sup>3+</sup> Substitution on the Electric Field Gradient in a HoFe<sub>1−<i>x</i></sub>Mn<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0–0.7) System |
| title_sort | effect of mn sup 3 sup substitution on the electric field gradient in a hofe sub 1 i x i sub mn sub i x i sub o sub 3 sub i x i 0 0 7 system |
| topic | orthoferrites electric field gradient Mössbauer spectroscopy first-principle calculations |
| url | https://www.mdpi.com/2073-4352/14/12/1025 |
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