Structural transition in the magnetoelectric ZnC r2 S e4 spinel under pressure

Efthimiopoulos Ilias; Liu Zhi T.Y.; Khare Sanjay V.; Sarin Pankaj; Tsurkan Vladimir; Loidl Alois; Popov Dimitriy Yu.; Wang Yuejian

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2023-09-13 15:57

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EFTHIMIOPOULOS, Ilias, LIU, Zhi T.Y., KHARE, Sanjay V., SARIN, Pankaj, TSURKAN, Vladimir, LOIDL, Alois, POPOV, Dimitriy Yu., WANG, Yuejian. Structural transition in the magnetoelectric ZnC r2 S e4 spinel under pressure. In: Physical Review B, 2016, vol. 93, pp. 1-17. ISSN 2469-9950. DOI: https://doi.org/10.1103/PhysRevB.93.174103

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Physical Review B

Volumul 93 / 2016 / ISSN 2469-9950 /ISSNe 2469-9969

Structural transition in the magnetoelectric ZnC r2 S e4 spinel under pressure

DOI:https://doi.org/10.1103/PhysRevB.93.174103

Pag. 1-17

Efthimiopoulos Ilias¹, Liu Zhi T.Y.², Khare Sanjay V.², Sarin Pankaj³, Tsurkan Vladimir⁴⁵, Loidl Alois⁴, Popov Dimitriy Yu.⁶, Wang Yuejian¹

¹ Oakland University, Rochester,
² University of Toledo,
³ Oklahoma State University,
⁴ Institute of Applied Physics, Academy of Sciences of Moldova,
⁵ University of Augsburg,
⁶ Carnegie Institution of Washington

Disponibil în IBN: 11 august 2022

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Τhe magnetoelectric ZnCr2Se4 spinel, with space group Fd3m, undergoes a reversible first-order structural transition initiating at 17 GPa, as revealed by our high-pressure x-ray diffraction studies at room temperature. We tentatively assign the high-pressure modification to an AMo2S4-type phase, a distorted variant of the monoclinic Cr3S4 structure. Furthermore, our Raman investigation provides evidence for a pressure-induced insulator-metal transition. Our density functional theory calculations successfully reproduce the structural transition. They indicate significant band gap and magnetic moment reduction accompanying the pressure-induced structural modification. We discuss our findings in conjunction with the available high-pressure results on other Cr-based chalcogenide spinels.

Cuvinte-cheie
Chromium compounds, density functional theory, Energy gap, Magnetic moments, Metal insulator transition, Selenium compounds

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