NDLI: Ba5CdGa6Se15, a congruently-melting infrared nonlinear optical material with strong SHG response

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Journal of Materials Chemistry C Vol - 5 Issue - 4

Journal of Materials Chemistry C Vol - 5 Issue - 3

Journal of Materials Chemistry C Vol - 5 Issue - 2

Journal of Materials Chemistry C Vol -4

Journal of Materials Chemistry C Vol -3

Journal of Materials Chemistry C Vol -2

Journal of Materials Chemistry C Vol -1

Ba₅CdGa₆Se₁₅, a congruently-melting infrared nonlinear optical material with strong SHG response

Content Provider	Royal Society of Chemistry (RSC)
Author	Yin, Wenlong Li, Chao Yao, Jiyong Mar, Arthur Iyer, Abishek K.
Copyright Year	2017
Abstract	The quaternary selenide Ba5CdGa6Se15 was prepared by reaction of BaSe and CdGa2Se4 at 1273 K and forms as light yellow crystals. It adopts a noncentrosymmetric structure (orthorhombic, space group Ama2, Z = 4, a = 24.2458(8) Å, b = 19.1582(7) Å, c = 6.6028(2) Å) featuring a three-dimensional anionic framework built up of corner-sharing tetrahedra centred by Cd and Ga atoms, with the intervening voids filled by Ba cations. The Cd atoms are partially disordered with Ga atoms within two out of five possible sites; the site preference can be understood in terms of optimizing bond valence sums. Band structure calculations predict that Ba5CdGa6Se15 should be a semiconductor in which substitution of Cd for Ga atoms reduces the electron count in a hypothetical all-Ga compound “Ba5Ga7Se15” so that the Fermi level falls within a band gap. Ba5CdGa6Se15 is a potential new infrared nonlinear optical material with several attractive properties. First, the large band gap of 2.60(2) eV, as determined from the UV-vis-NIR optical absorption spectrum, implies a high laser damage threshold. Second, strong second harmonic generation signals were observed from nonlinear optical measurements on powder samples, with intensities comparable to that of the benchmark material AgGaS2; type-I phase-matching behaviour was confirmed using 2090 nm as the fundamental laser wavelength. Third, this compound melts congruently at a relative low temperature of 866 °C, which could facilitate growth of large crystals eventually required for applications.
Starting Page	1057
Ending Page	1063
Page Count	7
File Format	HTM / HTML PDF
ISSN	20507526
Volume Number	5
Issue Number	5
Journal	Journal of Materials Chemistry C
DOI	10.1039/c6tc05111a
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Ba Selenium Centrosymmetry Orthorhombic crystal system Space group Tetrahedron Gallium Bond valence method Electronic band structure Semiconductor Fermi level Band gap Infrared spectroscopy Nonlinear optics Electronvolt Absorption spectroscopy Laser Harmonic Wavelength
Content Type	Text
Resource Type	Article
Subject	Chemistry Materials Chemistry

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