Ln₃FeGaQ₇: A new series of transition-metal rare-earth chalcogenides

Journal Article · Sat Jun 01 04:00:00 EDT 2013 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/J.JSSC.2013.03.029· OSTI ID:22306341

Yin, Wenlong ^[1]; Wang, Wendong ^[2]; Kang, Lei ^[1]; Lin, Zheshuai ^[1]; Feng, Kai ^[1]; Shi, Youguo ^[3]; others, and

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1. Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)
2. Beijing University of Post and Telecommunication, School of Science, Beijing 100876 (China)
3. Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

A new series of transition-metal rare-earth chalcogenides, Ln₃FeGaQ₇ (Ln=Nd, Sm, Gd, Dy, Q=S; Ln=Nd, Gd, Dy, Q=Se), have been synthesized by solid state reactions. They are isostructural and crystallize in the space group P6₃. They adopt a three-dimensional framework composed of LnQ₇ monocapped trigonal prisms with the interesting ¹_∞[FeS₃]⁴⁻ chains and isolated GaQ₄ tetrahedra lying in two sets of channels in the framework. Magnetic susceptibility measurements on Ln₃FeGaQ₇ (Ln=Gd, Dy; Q=S, Se) indicate that they are paramagnetic and obey the Curie–Weiss law. Based on the diffuse reflectance spectra, Ln₃FeGaQ₇ (Ln=Gd, Dy; Q=S, Se) should have band gaps smaller than 0.5 eV. Electronic conductivity measurement on Dy₃FeGaSe₇ demonstrates semiconducting behavior with σ₃₀₀=0.124 S/cm. The first-principles calculations were also performed to study the electronic structures of these compounds. - Graphical abstract: Ln₃FeGaQ₇ adopt a three-dimensional framework composed of LnQ₇ monocapped trigonal prisms with interesting ¹_∞[FeS₃]⁴⁻ chains and isolated GaQ₄ tetrahedra lying in two sets of channels in the framework. Highlights: • New compounds, Ln₃FeGaQ₇ (Ln=Nd, Sm, Gd, Dy, Q=S, Se), were synthesized. • They are isostructural and crystallize in the noncentrosymmetric space group P6₃. • They adopt a three-dimensional framework built by LnQ₇ monocapped trigonal prisms. • Ln₃FeGaQ₇ (Ln=Gd, Dy; Q=S, Se) are paramagnetic and obey the Curie–Weiss law. • Electronic conductivity of Dy₃FeGaSe₇ shows semiconducting behavior.

• OSTI ID: 22306341
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Vol. 202; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
CURIE-WEISS LAW
ELECTRONIC STRUCTURE
HEXAGONAL LATTICES
IRON SULFIDES
MAGNETIC SUSCEPTIBILITY
OPTICAL PROPERTIES
PARAMAGNETISM
RARE EARTHS
SOLIDS
SPACE GROUPS
SPECTRA
SYNTHESIS
TRANSITION ELEMENTS