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DateDate: 4-11-2019, 05:15

The researchers studied the structure and properties of the first synthesized complex sulfide EuErCuS3.
The work is published in the Journal of Alloys and Compounds. The attention of scientists to chalcogenides, compounds of chalcogenes (sulfur, selenium, tellurium) with metals is associated with their unique properties. Among chalcogenides, one can find not only semiconductors and superconductors, but also compounds with magnetic and optical properties.
Chalcogenides of rare-earth elements (REE) have no less practical potential. REE double and triple chalcogenides often exhibit a number of new thermal, magnetic, and optical properties uncharacteristic of other chalcogenides. In this work, the authors examined the synthesis and structure of the complex sulfide EuErCuS3, and also evaluated its optical, magnetic, durometric, and thermal properties.
 
It was found that the compound crystallizes in the Eu2CuS3 structural type, which is typical of EuLnCuS3 compounds. The synthesized compound contains a magnetic ion Er3 +. As a result, this ion experiences a ferrimagnetic transition at low temperatures of about 4.8 K. For comparison, in another chalcogenide, EuGdCuS3, the transition is observed at a temperature of 5.4 K.
The authors also demonstrated that the values obtained by studying the magnetic and thermal properties of EuErCuS3 are in the range for the isostructural compounds ALnCuS3 (A = Sr, Eu; Ln = La-Lu). The crystal structure and phonon spectrum were calculated for EuErCuS3 using the LCAO-MO approach and the density functional theory using the B3LYP hybrid functional. The calculation results allowed scientists to interpret the observed vibrational spectra. The valence state of RE ions (Er3 + and Eu2 +) was verified by a combination of X-ray diffraction and luminescent spectroscopy.
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The indicator that the research group first drew when studying electrical properties is the band gap. This indicator allows you to evaluate the ability of solids to pass electric current. According to the results from the diffuse reflection spectrum, this indicator is 1.934 eV.
It can be said that the synthesized chalcogenide is a semiconductor. Interestingly, the calculated band gap (2.56 eV) differs from the experimental one. According to the authors, this may be due to the fact that in the calculations the orbitals of rare-earth ions were replaced by a pseudopotential.





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