Single Crystals of EuScCuSe3: Synthesis, Experimental and DFT Investigations-Reference-Cited by-同舟云学术

Single Crystals of EuScCuSe3: Synthesis, Experimental and DFT Investigations

Published:2023-02-13 Issue:4 Volume:16 Page:1555
ISSN:1996-1944
Container-title:Materials
language:en
Short-container-title:Materials

Author:

Grigoriev Maxim V.¹²,Ruseikina Anna V.¹^ORCID,Chernyshev Vladimir A.³^ORCID,Oreshonkov Aleksandr S.⁴⁵^ORCID,Garmonov Alexander A.⁶,Molokeev Maxim S.⁷⁸⁹^ORCID,Locke Ralf J. C.²,Elyshev Andrey V.¹,Schleid Thomas²

Affiliation:

1. Laboratory of Theory and Optimization of Chemical and Technological Processes, University of Tyumen, Tyumen 625003, Russia

2. Institute of Inorganic Chemistry, University of Stuttgart, D-70569 Stuttgart, Germany

3. Institute of Natural Sciences and Mathematics, Ural Federal University named after the First President of Russia B.N. Yeltsin, Mira Str. 19, Ekaterinburg 620002, Russia

4. Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia

5. School of Engineering and Construction, Siberian Federal University, Krasnoyarsk 660041, Russia

6. Institute of Physics and Technology, University of Tyumen, Tyumen 625003, Russia

7. Institute of Engineering Physics and Radioelectronic of Siberian State University, Krasnoyarsk 660041, Russia

8. Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia

9. Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia

Abstract

EuScCuSe3 was synthesized from the elements for the first time by the method of cesium-iodide flux. The crystal belongs to the orthorhombic system (Cmcm) with the unit cell parameters a = 3.9883(3) Å, b = 13.2776(9) Å, c = 10.1728(7) Å, V = 538.70(7) Å3. Density functional (DFT) methods were used to study the crystal structure stability of EuScCuSe3 in the experimentally obtained Cmcm and the previously proposed Pnma space groups. It was shown that analysis of elastic properties as Raman and infrared spectroscopy are powerless for this particular task. The instability of EuScCuSe3 in space group Pnma space group is shown on the basis of phonon dispersion curve simulation. The EuScCuSe3 can be assigned to indirect wide-band gap semiconductors. It exhibits the properties of a soft ferromagnet at temperatures below 2 K.

Funder

Tyumen Oblast Government as part of the West-Siberian Interregional Science and Education Center’s project

The Ministry of Science and Higher Education of the Russian Federation, project

Publisher

MDPI AG

Subject

General Materials Science

Link

https://www.mdpi.com/1996-1944/16/4/1555/pdf

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