Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Synthesis and properties of the NdSF compound, phase diagram of the NdF3–Nd2S3 system. / Grigorchenko, V.M.; Molokeev, M.S.; Oreshonkov, A.S.; Aleksandrovsky, A.S.; Kertman, A.V.; Abulkhaev, M.U.; Mereshchenko, A.S.; Yurev, I.O.; Shulaev, N.А.; Kamaev, D.N.; Elyshev, A.V.; Andreev, O.V.
в: Journal of Solid State Chemistry, Том 333, 124640, 01.05.2024.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Synthesis and properties of the NdSF compound, phase diagram of the NdF3–Nd2S3 system
AU - Grigorchenko, V.M.
AU - Molokeev, M.S.
AU - Oreshonkov, A.S.
AU - Aleksandrovsky, A.S.
AU - Kertman, A.V.
AU - Abulkhaev, M.U.
AU - Mereshchenko, A.S.
AU - Yurev, I.O.
AU - Shulaev, N.А.
AU - Kamaev, D.N.
AU - Elyshev, A.V.
AU - Andreev, O.V.
N1 - Export Date: 11 March 2024 CODEN: JSSCB Адрес для корреспонденции: Grigorchenko, V.M.; Tyumen State University, Volodarsky str. 6, Russian Federation; эл. почта: v.m.grigorchenko@utmn.ru Сведения о финансировании: Tyumen region Сведения о финансировании: Siberian Federal University, SibFU Текст о финансировании 1: 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 . Текст о финансировании 2: 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) Пристатейные ссылки: Arai, T., Iimura, S., Hosono, H., Doping induced polymorph and carrier polarity changes in LaSeF (2018) Chem. 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PY - 2024/5/1
Y1 - 2024/5/1
N2 - 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. © 2024 Elsevier Inc.
AB - 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. © 2024 Elsevier Inc.
KW - Microhardness
KW - Neodymium fluorosulfide
KW - Optical band gap
KW - Phase diagram
KW - Chlorine compounds
KW - Energy gap
KW - Fluorine compounds
KW - Lead compounds
KW - Neodymium compounds
KW - Phase diagrams
KW - Rare earths
KW - Compound phase
KW - Electronic band structure
KW - N-type materials
KW - Neodymium fluorosulphide
KW - P and n types
KW - Property
KW - Space Groups
KW - Structural type
KW - Synthesised
KW - Unit cell parameters
UR - https://www.mendeley.com/catalogue/72394ed5-d92e-36e4-91b9-ba7c48d34ec3/
U2 - 10.1016/j.jssc.2024.124640
DO - 10.1016/j.jssc.2024.124640
M3 - статья
VL - 333
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
SN - 0022-4596
M1 - 124640
ER -
ID: 117486611