Structure, thermal stability and properties of Li{sub 3}Sc(BO{sub 3}){sub 2}

Journal Article · Sat Jan 15 00:00:00 EST 2011 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2010.10.035· OSTI ID:21496544

Tao, X M ^[1]; Su, L M; Zheng, F; Yi, D Q ^[2]; Chen, X L ^[3]

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1. Department of Physics, Guangxi University, Nanning 530004 (China)
2. Science Center for Phase Diagram and Materials Design and Manufacture, Central South University, Changsha, Hunan 410083 (China)
3. Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100080 (China)

Polycrystalline Li{sub 3}Sc(BO{sub 3}){sub 2} was synthesized through the solid-state reaction, which is air-, water- and thermal-stable below about 929 {sup o}C. Its crystal structure was resolved and refined on the basis of powder X-ray diffraction data. The metal-borate framework is built up from ScO{sub 6} octahedra connected to each other by sharing common edges, corners and faces of BO{sub 3} units and LiO{sub 4} groups. Coordination surrounding of B-O in this structure, [BO{sub 3}]{sup 3-} group, was confirmed by an infrared absorption spectrum of an Li{sub 3}Sc(BO{sub 3}){sub 2}. According to the electronic structure calculated by first-principles calculations, an Li{sub 3}Sc(BO{sub 3}){sub 2} is an insulator with a wide indirect energy band gap of about 4.4 eV. Considering the facile synthesis, large band gap, and thermal stability and excellent Tb{sup 3+}-doped photoluminescence characteristics of this compound in general, it may be a good candidate as host of phosphors deposited on chip of the light-emitting diodes for white-color conversion. -- Graphical abstract: The metal-orthoborate framework of an Li{sub 3}Sc(BO{sub 3}){sub 2} is build up from ScO{sub 6} octahedra connected to each other by sharing common edges, corners and faces of BO{sub 3} units and LiO{sub 4} groups. Large band gap of about 4.4 eV made Tb{sup 3+}-doped Li{sub 3}Sc(BO{sub 3}){sub 2} exhibits excellent photoluminescence property, given potential applications in phosphor-converted white light-emitting diodes. Display Omitted

• OSTI ID: 21496544
• Journal Information: Journal of Solid State Chemistry, Vol. 184, Issue 1; Other Information: DOI: 10.1016/j.jssc.2010.10.035; PII: S0022-4596(10)00492-5; Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ABSORPTION SPECTRA
BORATES
CRYSTAL STRUCTURE
DOPED MATERIALS
ELECTRONIC STRUCTURE
EV RANGE 01-10
LIGHT EMITTING DIODES
LITHIUM COMPOUNDS
PHOSPHORS
PHOTOLUMINESCENCE
POLYCRYSTALS
SCANDIUM COMPOUNDS
STABILITY
SYNTHESIS
TEMPERATURE RANGE 1000-4000 K
TERBIUM IONS
X-RAY DIFFRACTION
ALKALI METAL COMPOUNDS
BORON COMPOUNDS
CHARGED PARTICLES
COHERENT SCATTERING
CRYSTALS
DIFFRACTION
EMISSION
ENERGY RANGE
EV RANGE
IONS
LUMINESCENCE
MATERIALS
OXYGEN COMPOUNDS
PHOTON EMISSION
SCATTERING
SEMICONDUCTOR DEVICES
SEMICONDUCTOR DIODES
SPECTRA
TEMPERATURE RANGE
TRANSITION ELEMENT COMPOUNDS