Synthesis, structural and spectroscopic properties of orthorhombic compounds BaLnCuS(3) (Ln = Pr, Sm) | Научно-инновационный портал СФУ

Synthesis, structural and spectroscopic properties of orthorhombic compounds BaLnCuS(3) (Ln = Pr, Sm)

Тип публикации: статья из журнала

Год издания: 2020

Идентификатор DOI: 10.1016/j.jallcom.2019.153134

Ключевые слова: complex sul fides, crystal structure, sem, raman

Аннотация: Ternary sulfides BaPrCuS3 and BaSmCuS3 are first synthesized by the sulphidation reaction of a mixture of related oxides and metal Cu in a flow of (CS2, H2S) at 1170 K. The crystal structures of BaPrCuS3 and BaSmCuS3 are obtained by Rietveld method. BaPrCuS3 crystallizes in space group Pnma with unit cell parameters a = 10.56074(6), b = 4.11305(2) and c = 13.42845(7) angstrom, V = 583.289 (5) angstrom(3), Z = 2 (structure type Eu2CuS3). BaSmCuS3 crystallizes in space group Cmcm with unit cell parameters a = 4.07269(4), b = 13.4499(1) and c = 10.3704(1) angstrom, V = 568.06 (1) angstrom(3), Z = 2 (structure type KZrCuS3). The structural model is proposed for the Cmcm -> Pnma transition in ABCX(3) (X = S, Se) compounds for the sequence Sm-Pm-Nd-Pr. The dimensionless tolerance factor t = IR(A) x IR(C)/IR(B)(2) is suggested to control the boundary between the Cmcm and Pnma structures. The micromorphological, thermal and spectroscopic properties are evaluated for BaPrCuS3. The compound melts incongruently at T-melt = 1580.9 K. In BaPrCuS3, the band gap is estimated to be 2.1 eV. The vibrational parameters of BaPrCuS3 and BaSmCuS3 are comparatively observed by Raman spectroscopy. (c) 2019 Published by Elsevier B.V.

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Издание

Журнал: JOURNAL OF ALLOYS AND COMPOUNDS

Выпуск журнала: Vol. 832

ISSN журнала: 09258388

Место издания: LAUSANNE153134

Издатель: ELSEVIER SCIENCE SA

Авторы

  • Azarapin Nikita O. (Tyumen State Univ, Inst Chem, Tyumen 625003, Russia)
  • Aleksandrovsky Aleksandr S. (Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Lab Coherent Opt, Krasnoyarsk 660036, Russia; Siberian Fed Univ, Dept Photon & Laser Technol, Krasnoyarsk 660041, Russia)
  • Atuchin Victor V. (SB RAS, Lab Opt Mat & Struct, Inst Semicond Phys, Novosibirsk 630090, Russia; Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia; Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia)
  • Gavrilova Tatyana A. (SB RAS, Lab Nanodiagnost & Nanolithog, Inst Semicond Phys, Novosibirsk 630090, Russia)
  • Krylov Aleksandr S. (Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Lab Mol Spect, Krasnoyarsk 660036, Russia)
  • Molokeev Maxim S. (Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Lab Crystal Phys, Krasnoyarsk 660036, Russia; Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia; Siberian Fed Univ, Krasnoyarsk 660079, Russia)
  • Mukherjee Shaibal (Indian Inst Technol Indore, Elect Engn, Hybrid Nanodevice Res Grp HNRG, Indore 453552, Madhya Pradesh, India)
  • Oreshonkov Aleksandr S. (Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Lab Mol Spect, Krasnoyarsk 660036, Russia; Siberian Fed Univ, Krasnoyarsk 660079, Russia)
  • Andreev Oleg (Tyumen State Univ, Inst Chem, Tyumen 625003, Russia)

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