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Synthesis and properties of the NdSF compound, phase diagram of the NdF3–Nd2S3 system / V. M. Grigorchenko, M. S. Molokeev, A. S. Oreshonkov [et al.] // J. Solid State Chem. - 2024. - Vol. 333. - Ст. 124640, DOI 10.1016/j.jssc.2024.124640. - Cited References: 48. - This research was funded by the Tyumen Oblast Government as part of the West-Siberian Interregional Science and Education Center’s project No. 89-DON (3). - The studies ab initio simulation of electron band structure, analysis of optical properties, XRD analysis was partially supported by "Priority-2030" program for the Siberian Federal University, and the state assignment of Kirensky Institute of Physics
. - ISSN 0022-4596. - ISSN 1095-726X
Перевод заглавия: Синтез и свойства соединения NdSF, фазовая диаграмма системы NdF3–Nd2S3
Кл.слова (ненормированные):
Neodymium fluorosulfide -- Phase diagram -- Optical band gap -- Microhardness
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: a = 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.
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Держатели документа:
Tyumen State University, Tyumen, Volodarsky str. 6, 625003, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Akademgorodok str. 50, Building 38, 660036, Russia
Siberian Federal University, Krasnoyarsk, Svobodnyj av. 79, 660079, Russia
Department of Physical and Applied Chemistry, Kurgan State University, Sovetskaya str. 63/4, Kurgan, 640020, Russia
Institute of Solid State Chemistry, Ural Branch, Russian Academy of Sciences, Yekaterinburg, Pervomaiskaya str. 91, 620990, Russia
Saint-Petersburg State University, 7/9 Universitetskaya Emb., 199034, St. Petersburg, Russia
Доп.точки доступа:
Grigorchenko, V.M.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Kertman, A.V.; Abulkhaev, M.U.; Mereshchenko, A.S.; Yurev, I.O.; Shulaev, N.А.; Kamaev, D.N.; Elyshev, A.V.; Andreev, O.V.
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