Тип публикации: статья из журнала

Год издания: 2024

Идентификатор DOI: 10.1016/j.jssc.2024.124640

Аннотация: The NdF3–Nd2S3 system attracts attention of researchers due to the possibility of using LnSF compounds (Ln = rare earth element) as possible new p- and n-type materials. The samples of this system were synthesized from NdF3 and Nd2S3. The NdSF compound belongs to the PbFCl structural type, P4/nmm space group, unit cell parameters: Показать полностьюa = 3.9331(20) Å, c = 6.9081(38) Å. The experimentally determined direct and indirect NdSF bandgaps are equal to 2.68 eV and 2.24 eV. The electronic band structure was calculated via DFT simulation. The NdSF compound melts congruently at T = 1385 ± 10°С, ΔНm = 40.5 ± 10 kJ/mol, ΔS = 24.4 ± 10 J/mol. The NdSF microhardness is 455 ± 10 HV. Five phase transformations in the NdF3–Nd2S3 system were recorded by DSC; their balance equations were derived. The liquidus of the system calculated from the Redlich–Kister equation is fully consistent with the DSC data.

Журнал: Journal of Solid State Chemistry

Выпуск журнала: Т. 333

Номера страниц: 124640

ISSN журнала: 00224596

Издатель: Academic Press

• Grigorchenko V.M. (Tyumen State University, Tyumen, Volodarsky str. 6, 625003, Russia)
• Molokeev M.S. (Siberian Federal University, Krasnoyarsk, Svobodnyj av. 79, 660079, Russia)
• Oreshonkov A.S. (Siberian Federal University, Krasnoyarsk, Svobodnyj av. 79, 660079, Russia)
• Aleksandrovsky A.S. (Siberian Federal University, Krasnoyarsk, Svobodnyj av. 79, 660079, Russia)
• Kertman A.V. (Tyumen State University, Tyumen, Volodarsky str. 6, 625003, Russia)
• Abulkhaev M.U. (Saint-Petersburg State University, 7/9 Universitetskaya Emb., 199034, St. Petersburg, Russia)
• Mereshchenko A.S. (Saint-Petersburg State University, 7/9 Universitetskaya Emb., 199034, St. Petersburg, Russia)
• Yurev I.O. (Tyumen State University, Tyumen, Volodarsky str. 6, 625003, Russia)
• Shulaev N.А. (Tyumen State University, Tyumen, Volodarsky str. 6, 625003, Russia)
• Kamaev D.N. (Department of Physical and Applied Chemistry, Kurgan State University, Sovetskaya str. 63/4, Kurgan, 640020, Russia)
• Elyshev A.V. (Tyumen State University, Tyumen, Volodarsky str. 6, 625003, Russia)
• Andreev O.V. (Institute of Solid State Chemistry, Ural Branch, Russian Academy of Sciences, Yekaterinburg, Pervomaiskaya str. 91, 620990, Russia)

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