High-pressure phase transition and properties of spinel ZnMn2O4

S. Åbrink, A. Waskowska, Leif Gerward, J.S. Olsen, E. Talik

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Abstract

X-ray photoelectron spectroscopy, magnetic measurements, and a single-crystal x-ray structure determination at normal pressure have shown that Jahn-Teller active manganese ions in ZnMn2O4 are present in one valence state (III) on the octahedral sites of the spinel structure. The high-pressure behavior of ZnMn2O4 was investigated up to 52 GPa using the energy-dispersive x-ray diffraction technique and synchrotron radiation. The structural first-order phase transition from the body-centered to primitive-tetragonal cell takes place at P-c = 23 GPa. The high-pressure phase is metastable down to normal pressure. The c/a ratio reduces from 1.62 to 1.10 above P-c and remains nearly pressure independent in the high-pressure phase. The transition is attributed to the changes in electron configuration of the Mn3+ ions. According to the crystal field theory, the e(g) electron of octahedrally coordinated Mn3+ is either in the d(z)(2) orbital or in the d(x2-y2). In the first configuration the MnO6 octahedron will be elongated and this is the case at normal pressure, while the second configuration gives the flattened octahedron. In the high-pressure phase some proportion of the e(g) electrons of the Mn3+ ions is moved to the d(x2-y2) level, which is revealed as an abrupt fall of observed magnitude of the distortion of the bulk crystal above P-c. [S0163-1829(99)08341-1].
Original languageEnglish
JournalPhysical Review B Condensed Matter
Volume60
Issue number18
Pages (from-to)12651-12656
ISSN0163-1829
DOIs
Publication statusPublished - 1999

Bibliographical note

Copyright (1999) by the American Physical Society.

Keywords

  • XPS
  • NICKEL MANGANITE
  • SPECTROSCOPY
  • CU
  • NIMN2O4
  • MN3O4
  • CATION VALENCIES

Cite this

Åbrink, S., Waskowska, A., Gerward, L., Olsen, J. S., & Talik, E. (1999). High-pressure phase transition and properties of spinel ZnMn2O4. Physical Review B Condensed Matter, 60(18), 12651-12656. https://doi.org/10.1103/PhysRevB.60.12651
Åbrink, S. ; Waskowska, A. ; Gerward, Leif ; Olsen, J.S. ; Talik, E. / High-pressure phase transition and properties of spinel ZnMn2O4. In: Physical Review B Condensed Matter. 1999 ; Vol. 60, No. 18. pp. 12651-12656.
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abstract = "X-ray photoelectron spectroscopy, magnetic measurements, and a single-crystal x-ray structure determination at normal pressure have shown that Jahn-Teller active manganese ions in ZnMn2O4 are present in one valence state (III) on the octahedral sites of the spinel structure. The high-pressure behavior of ZnMn2O4 was investigated up to 52 GPa using the energy-dispersive x-ray diffraction technique and synchrotron radiation. The structural first-order phase transition from the body-centered to primitive-tetragonal cell takes place at P-c = 23 GPa. The high-pressure phase is metastable down to normal pressure. The c/a ratio reduces from 1.62 to 1.10 above P-c and remains nearly pressure independent in the high-pressure phase. The transition is attributed to the changes in electron configuration of the Mn3+ ions. According to the crystal field theory, the e(g) electron of octahedrally coordinated Mn3+ is either in the d(z)(2) orbital or in the d(x2-y2). In the first configuration the MnO6 octahedron will be elongated and this is the case at normal pressure, while the second configuration gives the flattened octahedron. In the high-pressure phase some proportion of the e(g) electrons of the Mn3+ ions is moved to the d(x2-y2) level, which is revealed as an abrupt fall of observed magnitude of the distortion of the bulk crystal above P-c. [S0163-1829(99)08341-1].",
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Åbrink, S, Waskowska, A, Gerward, L, Olsen, JS & Talik, E 1999, 'High-pressure phase transition and properties of spinel ZnMn2O4', Physical Review B Condensed Matter, vol. 60, no. 18, pp. 12651-12656. https://doi.org/10.1103/PhysRevB.60.12651

High-pressure phase transition and properties of spinel ZnMn2O4. / Åbrink, S.; Waskowska, A.; Gerward, Leif; Olsen, J.S.; Talik, E.

In: Physical Review B Condensed Matter, Vol. 60, No. 18, 1999, p. 12651-12656.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - High-pressure phase transition and properties of spinel ZnMn2O4

AU - Åbrink, S.

AU - Waskowska, A.

AU - Gerward, Leif

AU - Olsen, J.S.

AU - Talik, E.

N1 - Copyright (1999) by the American Physical Society.

PY - 1999

Y1 - 1999

N2 - X-ray photoelectron spectroscopy, magnetic measurements, and a single-crystal x-ray structure determination at normal pressure have shown that Jahn-Teller active manganese ions in ZnMn2O4 are present in one valence state (III) on the octahedral sites of the spinel structure. The high-pressure behavior of ZnMn2O4 was investigated up to 52 GPa using the energy-dispersive x-ray diffraction technique and synchrotron radiation. The structural first-order phase transition from the body-centered to primitive-tetragonal cell takes place at P-c = 23 GPa. The high-pressure phase is metastable down to normal pressure. The c/a ratio reduces from 1.62 to 1.10 above P-c and remains nearly pressure independent in the high-pressure phase. The transition is attributed to the changes in electron configuration of the Mn3+ ions. According to the crystal field theory, the e(g) electron of octahedrally coordinated Mn3+ is either in the d(z)(2) orbital or in the d(x2-y2). In the first configuration the MnO6 octahedron will be elongated and this is the case at normal pressure, while the second configuration gives the flattened octahedron. In the high-pressure phase some proportion of the e(g) electrons of the Mn3+ ions is moved to the d(x2-y2) level, which is revealed as an abrupt fall of observed magnitude of the distortion of the bulk crystal above P-c. [S0163-1829(99)08341-1].

AB - X-ray photoelectron spectroscopy, magnetic measurements, and a single-crystal x-ray structure determination at normal pressure have shown that Jahn-Teller active manganese ions in ZnMn2O4 are present in one valence state (III) on the octahedral sites of the spinel structure. The high-pressure behavior of ZnMn2O4 was investigated up to 52 GPa using the energy-dispersive x-ray diffraction technique and synchrotron radiation. The structural first-order phase transition from the body-centered to primitive-tetragonal cell takes place at P-c = 23 GPa. The high-pressure phase is metastable down to normal pressure. The c/a ratio reduces from 1.62 to 1.10 above P-c and remains nearly pressure independent in the high-pressure phase. The transition is attributed to the changes in electron configuration of the Mn3+ ions. According to the crystal field theory, the e(g) electron of octahedrally coordinated Mn3+ is either in the d(z)(2) orbital or in the d(x2-y2). In the first configuration the MnO6 octahedron will be elongated and this is the case at normal pressure, while the second configuration gives the flattened octahedron. In the high-pressure phase some proportion of the e(g) electrons of the Mn3+ ions is moved to the d(x2-y2) level, which is revealed as an abrupt fall of observed magnitude of the distortion of the bulk crystal above P-c. [S0163-1829(99)08341-1].

KW - XPS

KW - NICKEL MANGANITE

KW - SPECTROSCOPY

KW - CU

KW - NIMN2O4

KW - MN3O4

KW - CATION VALENCIES

U2 - 10.1103/PhysRevB.60.12651

DO - 10.1103/PhysRevB.60.12651

M3 - Journal article

VL - 60

SP - 12651

EP - 12656

JO - Physical Review B (Condensed Matter and Materials Physics)

JF - Physical Review B (Condensed Matter and Materials Physics)

SN - 1098-0121

IS - 18

ER -