Synthesis, structural and spectroscopic properties of orthorhombic compounds BaLnCuS3 (Ln = Pr, Sm)

被引：33

作者：

Azarapin, Nikita O. ^{[1
]}

Aleksandrovsky, Aleksandr S. ^{[2
,3
]}

Atuchin, Victor V. ^{[4
,5
,6
]}

Gavrilova, Tatyana A. ^{[7
]}

Krylov, Aleksandr S. ^{[8
]}

Molokeev, Maxim S. ^{[9
,10
,11
]}

Mukherjee, Shaibal ^{[12
]}

Oreshonkov, Aleksandr S. ^{[8
,11
]}

Andreev, Oleg, V ^{[1
]}

机构：

[1] Tyumen State Univ, Inst Chem, Tyumen 625003, Russia

[2] Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Lab Coherent Opt, Krasnoyarsk 660036, Russia

[3] Siberian Fed Univ, Dept Photon & Laser Technol, Krasnoyarsk 660041, Russia

[4] SB RAS, Lab Opt Mat & Struct, Inst Semicond Phys, Novosibirsk 630090, Russia

[5] Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia

[6] Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia

[7] SB RAS, Lab Nanodiagnost & Nanolithog, Inst Semicond Phys, Novosibirsk 630090, Russia

[8] Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Lab Mol Spect, Krasnoyarsk 660036, Russia

[9] Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Lab Crystal Phys, Krasnoyarsk 660036, Russia

[10] Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia

[11] Siberian Fed Univ, Krasnoyarsk 660079, Russia

[12] Indian Inst Technol Indore, Elect Engn, Hybrid Nanodevice Res Grp HNRG, Indore 453552, Madhya Pradesh, India

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2020年 / 832卷

基金：

俄罗斯科学基金会;

关键词：

Complex sul fides; Crystal structure; SEM; Raman; = RARE-EARTH; CRYSTAL-STRUCTURES; QUATERNARY CHALCOGENIDES; MAGNETIC-PROPERTIES; PHASE-EQUILIBRIA; SRLNCUS(3) LN; EULNCUS(3) LN; OPTICAL-PROPERTIES; LAYERED MATERIALS; COPPER SULFIDE;

D O I：

10.1016/j.jallcom.2019.153134

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页数：9

共 67 条

[21]

2-D

[22]

Ionin A.A., 2018, OPT LETT, V43

[23] Thermodynamics of phase changes in systems BaS-Ln2S3 (Ln = Pr, Sm, Gd, Tb, Er, Lu) [J].

Khritohin, NA ;

Andreev, OV ;

Mitroshin, OV ;

Korotkov, AS .

JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION, 2004, 25 (06) :515-519

[24] CRYSTAL STRUCTURE OF AIKINITE, PBCUBIS3 [J].

KOHATSU, I ;

WUENSCH, BJ .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1971, B 27 (JUN15) :1245-&

[25] The Structural Chemistry of Quaternary Chalcogenides of the Type AMM'Q3 [J].

Koscielski, Lukasz A. ;

Ibers, James A. .

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2012, 638 (15) :2585-2593

[26] Bilbao crystallographic server: Useful databases and tools for phase-transition studies [J].

Kroumova, E ;

Aroyo, MI ;

Perez-Mato, JM ;

Kirov, A ;

Capillas, C ;

Ivantchev, S ;

Wondratschek, H .

PHASE TRANSITIONS, 2003, 76 (1-2) :155-170

[27] STRUCTURE OF EUROPIUM AND COPPER SULFIDE, EU2CUS3 [J].

LEMOINE, P ;

CARRE, D ;

GUITTARD, M .

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1986, 42 :390-391

[28] Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+, Yb3+ [J].

Lim, Chang Sung ;

Aleksandrovsky, Aleksandr S. ;

Molokeev, Maxim S. ;

Oreshonkov, Aleksandr S. ;

Atuchin, Victor V. .

JOURNAL OF ALLOYS AND COMPOUNDS, 2017, 713 :156-163

[29] Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er3+/Yb3+: structural and spectroscopic properties [J].

Lim, Chang Sung ;

Aleksandrovsky, Aleksandr S. ;

Molokeev, Maxim S. ;

Oreshonkov, Aleksandr S. ;

Ikonnikov, Denis A. ;

Atuchin, Victor V. .

DALTON TRANSACTIONS, 2016, 45 (39) :15541-15551

[30] ZnS buffer layer for Cu2ZnSn(SSe)4 monograin layer solar cell [J].

Mai Nguyen ;

Ernits, Kaia ;

Tai, Kong Fai ;

Ng, Chin Fan ;

Pramana, Stevin Snellius ;

Sasangka, Wardhana A. ;

Batabyal, Sudip K. ;

Holopainen, Timo ;

Meissner, Dieter ;

Neisser, Axel ;

Wong, Lydia H. .

SOLAR ENERGY, 2015, 111 :344-349

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