Brahim Akdim, John W. Drazin, Andrew Schlup, Randall S. Hay, Seamus McGarvey, Augustine Urbas, Jared H. Delcamp
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The infrared (IR) transparency of garnets and cubic antimonates, with a structure similar to garnet, were determined by density functional theory (DFT) calculations. The maximum frequency at the Brillouin zone center was scaled by a factor of 2 to determine IR cutoff. DFT calculations for bulk modulus and bandgap were also done. The calculations were compared with transparency determined from digitized Fourier-transform infrared (FTIR) spectra for powder and for bulk specimens. Trends for predictions from DFT calculations agree with those determined from FTIR and bulk spectra. Measurements of IR transmittance from room temperature to 1500°C were made for polycrystalline Y3Al5O12 (YAG) and single-crystal Gd3Ga5O12 (GGG) garnet. Optical, structural, thermodynamic, and thermophysical properties from literature data were collected for a variety of garnet compositions, and where possible, compared with DFT calculations. Garnets with the best combinations of properties for windows are discussed.
期刊介绍：
The Journal of the American Ceramic Society contains records of original research that provide insight into or describe the science of ceramic and glass materials and composites based on ceramics and glasses. These papers include reports on discovery, characterization, and analysis of new inorganic, non-metallic materials; synthesis methods; phase relationships; processing approaches; microstructure-property relationships; and functionalities. Of great interest are works that support understanding founded on fundamental principles using experimental, theoretical, or computational methods or combinations of those approaches. All the published papers must be of enduring value and relevant to the science of ceramics and glasses or composites based on those materials.
Papers on fundamental ceramic and glass science are welcome including those in the following areas:
Enabling materials for grand challenges[...]
Materials design, selection, synthesis and processing methods[...]
Characterization of compositions, structures, defects, and properties along with new methods [...]
Mechanisms, Theory, Modeling, and Simulation[...]
JACerS accepts submissions of full-length Articles reporting original research, in-depth Feature Articles, Reviews of the state-of-the-art with compelling analysis, and Rapid Communications which are short papers with sufficient novelty or impact to justify swift publication.
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