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Synthesis, Crystal Structure, Optical, and Thermal Properties of a Novel Quaternary Selenide EuErAgSe3

Navruzbek Habibullayev1,*, Ilya Yurev1,2, Maxim Molokeev1,3,4, Aleksandr Aleksandrovsky3,5, Olga Trofimova1, Nikita Shulaev1, Svetlana Volkova1, Oleg Andreev1,6
1 University of Tyumen, Volodarskogo St., 6, Tyumen, Russia
2 Kurgan State University, Sovetskaya St., 63, Building 4, Kurgan, Russia
3 Kirensky Institute of Physics, Akademgorodok St., 50, Building 38, Krasnoyarsk, Russia
4 Far Eastern State Transport University, Seryshev St., 47, Khabarovsk, Russia
5 Siberian Federal University, Svobodny Pr., 79, Krasnoyarsk, Russia
6 Institute of Solid State Chemistry of the Ural Branch of the Russian Academy of Sciences, Pervomaiskaya St., 91, Ekaterinburg, Russia
* Corresponding Author: Navruzbek Habibullayev. Email: email

Chalcogenide Letters https://doi.org/10.32604/cl.2026.085815

Received 19 May 2026; Accepted 29 June 2026; Published online 27 July 2026

Abstract

A novel quaternary selenide, EuErAgSe3, has been synthesized for the first time. The phase forms upon annealing in the 1120–1800 K range and retains its crystal structure upon cooling to ambient conditions. The phase was prepared by the ampoule method from EuSe and AgErSe2 powders, followed by annealing at 1270 ± 10 K for up to 300 h. Powder X-ray diffraction revealed that EuErAgSe3 crystallizes in the AgBiS2 structure type (space group Fm-3m) with the lattice parameter a = 5.95322(14) Å. The microhardness of the phase is 340 ± 15 HV. The optical band gap for direct transitions is 1.78 eV, and for indirect transitions, it is 1.36 eV. The phase begins to form in the temperature range 1120–1170 K, likely due to diffusion processes, and melts incongruently at 1830 ± 30 K. The formation of EuLnAgSe3 phases was predicted for Ln = Gd–Lu, Y and confirmed experimentally for Gd, with a = 5.9906(4) Å, and for Yb, with a = 5.9312(5) Å. In the EuLnAgSe3 series, the unit cell parameter decreases linearly with the ionic radius of Ln3+.

Keywords

Quaternary rare-earth selenides; cation-disordered cubic structure; optical band gap; incongruent melting; artificial intelligence
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