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Synthesis of a polar ordered oxynitride perovskite

MetadataDetails
Publication Date2017-06-30
JournalPhysical review. B./Physical review. B
AuthorsRajasekarakumar Vadapoo, Muhtar Ahart, Maddury Somayazulu, Nicholas Holtgrewe, Yue Meng
InstitutionsLudwig-Maximilians-Universität München, Carnegie Institution for Science
Citations12

For decades, numerous attempts have been made to produce polar oxynitride\nperovskites, where some of the oxygen are replaced by nitrogen, but a polar\nordered oxynitride has never been demonstrated. Caracas and Cohen studied\npossible ordered polar oxynitrides within density functional theory (DFT) and\nfound a few candidates that were predicted to be insulating and at least\nmetastable. YSiO2N stood out with huge predicted polarization and nonlinear\noptic coefficients. In this study, we demonstrate the synthesis of\nperovskite-structured YSiO2N by using a combination of a diamond anvil cell and\nin-situ laser heating technique. Subsequent in-situ X-ray diffraction, second\nharmonic generation, and Raman scattering measurements confirm that it is polar\nand a strong nonlinear optical material, with structure and properties similar\nto those predicted by DFT.\n