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Size match reducing dislocations within lattice leads to ultrawide band gap, large second order susceptibility and high nonlinear optical performance of AgGaS2.

08:00 EDT 16th May 2019 | BioPortfolio

Summary of "Size match reducing dislocations within lattice leads to ultrawide band gap, large second order susceptibility and high nonlinear optical performance of AgGaS2."

The essence of rational design syntheses of functional inorganic materials lies in understanding and control of crystal structures that determine the physical properties. AgGaS2 has the highest figure of merit for IR nonlinear optical interactions to date, but suffers low laser induced damage threshold (LIDT). Here, we show for the first time the partial Li substitution to the Ag atoms pushing up the bottom of the conduction band and flattening the top of the valence band, leads to an ultrawide bandgap of 3.40 eV (record high for AgGaS2, indicating a transparency edging nearly 180 nm shorter than that of AgGaS2), which gives Li0.60Ag0.40GaS2 a LIDT 8.6 times stronger when AgGaS2 is compared. And Li0.60Ag0.4GaS2 exhibits 1.1 times stronger nonlinear susceptibility, which is because the energy favorable Li substitution gradually decreases the sulfur-dislocation in the lattice which allows a better geometric superposition of nonlinear optical tensors. Such a simultaneous enhancement is truly remarkable for high efficiency and long device longevity nonlinear optical applications.

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This article was published in the following journal.

Name: Angewandte Chemie (International ed. in English)
ISSN: 1521-3773
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