Syntheses, Crystal and Electronic Structures, and Physical Properties of Quaternary Semiconductors: Ln2Mn3Sb4S12 (Ln = Pr, Nd, Sm, Gd)

被引：76

作者：

Zhao, Hua-Jun ^{[1
,2
]}

Li, Long-Hua ^{[1
,2
]}

Wu, Li-Ming ^{[1
]}

Chen, Ling ^{[1
]}

机构：

[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, Key Lab Optoelect Mat Chem & Phys, Fuzhou 350002, Fujian, Peoples R China

[2] Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China

来源：

INORGANIC CHEMISTRY | 2010年 / 49卷 / 13期

基金：

中国国家自然科学基金;

关键词：

NONLINEAR-OPTICAL APPLICATIONS; MAGNETIC-PROPERTIES; SE; CE; CHALCOGENIDES; CHEMISTRY; SULFIDES; FAMILY; GROWTH; PAIR;

D O I：

10.1021/ic9025206

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Four new quaternary lanthanide antimony sulfides: Ln(2)Mn(3)Sb(4)S(12) (Ln = Pr, Nd, Sm, Gd) have been synthesized from a stoichiometric element mixture at 1373 K by conventional solid state reactions. These compounds crystallize in the monoclinic space group C2/m with the unit cell parameters of a = 19.928(2)-19.9672(6) angstrom, b= 3.9323(4)-3.8803(2) angstrom, c= 14.921(2)-14.9011(1) angstrom, V= 938.5(2)-925.63(6) angstrom(3), and Z= 2 on going from Ln = Pr to Gd. Their structure represents a novel wavy MnS6 octahedron layer decorated on both sides by chains of an SbS5 square pyramid via strong Sb-S bonding interactions (< 3.0 angstrom). Such a MnS6 octahedron layer consists of chains of an edge-sharing [Mn1S(6)](2) dimer extending along [010] that are interconnected by single strings of an edge-sharing Mn2S(6) octahedron at axial S apexes. Sm2Mn3Sb4S12 displays spin-canted antiferromagnetic interactions between Sm2+ and Mn2+ centers and an optical gap of 1.50 eV. The DFT study indicates an indirect band gap with an electronic transfer excitation of S 3p to Sb 5p orbital electrons.

引用

页码：5811 / 5817

页数：7

共 55 条

[1] Synthesis, structure, and electronic structure of the ternary sulfide La7Sb9S24 [J].

Assoud, A ;

Kleinke, KM ;

Kleinke, H .

CHEMISTRY OF MATERIALS, 2006, 18 (04) :1041-1046

[2] Mechanism of linear and nonlinear optical effects of chalcopyrite AgGaX2 (X=S, Se, and Te) crystals [J].

Bai, L ;

Lin, ZS ;

Wang, ZZ ;

Chen, CT ;

Lee, MH .

JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (18) :8772-8778

[3]

BENTE K, 1989, Z KRISTALLOGRAPHIE, V0185

[4]

Blaha P., 2001, CALCULATING CRYST PR, V60

[5] LINEAR AND NONLINEAR OPTICAL PROPERTIES OF LILNS2 [J].

BOYD, GD ;

KASPER, HM ;

MCFEE, JH .

JOURNAL OF APPLIED PHYSICS, 1973, 44 (06) :2809-2812

[6]

Chemla D. S., 1971, Optics Communications, V3, P29, DOI 10.1016/0030-4018(71)90207-0

[7] The synthesis and structural and physical characterization of a new family of rare-earth metal chalcoantimonates(III): K-2(RE)(2-x)Sb4+xSb4Se12, RE=La, Ce, Pr and Gd. [J].

Chen, JH ;

Dorhout, PK .

JOURNAL OF ALLOYS AND COMPOUNDS, 1997, 249 (1-2) :199-205

[8] Eightfold superstructure in K2Gd2Sb2Se9 and K2La2Sb2S9 caused by three-dimensional ordering of the 5s2 lone pair of Sb3+ ions [J].

Choi, KS ;

Hanko, JA ;

Kanatzidis, MG .

JOURNAL OF SOLID STATE CHEMISTRY, 1999, 147 (01) :309-319

[9] KThSb2Se6 and BaLaBi(2)Q(6) (Q=S, Se) adopt a new structure type stabilized with dichalcogenide groups [J].

Choi, KS ;

Iordanidis, L ;

Chondroudis, K ;

Kanatzidis, MG .

INORGANIC CHEMISTRY, 1997, 36 (18) :3804-3805

[10] Optimization of the thermopower of the antimonide Mo3Sb7 by a partial Sb/Te substitution [J].

Dashjav, E ;

Szczepenowska, A ;

Kleinke, H .

JOURNAL OF MATERIALS CHEMISTRY, 2002, 12 (02) :345-349

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