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Title: Synthesis of a polar ordered oxynitride perovskite

Abstract

For decades, numerous attempts have been made to produce polar oxynitride perovskites, where some of the oxygen is replaced by nitrogen, but a polar ordered oxynitride has never been demonstrated. Caracas and Cohen [Appl. Phys. Lett. 91, 092902 (2007)] studied possible ordered polar oxynitrides within density-functional theory (DFT) and found a few candidates that were predicted to be insulating and at least metastable. YSi O 2 N stood out with huge predicted polarization and nonlinear optic coefficients. In this study, we demonstrate the synthesis of perovskite-structured YSi O 2 N by using a combination of a diamond-anvil cell and in situ laser-heating techniques. Subsequent in situ x-ray diffraction, second-harmonic generation, and Raman-scattering measurements confirm that it is polar and a strong nonlinear optical material, with structure and properties similar to those predicted by DFT.

Authors:
; ; ; ; ; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
DOE - BASIC ENERGY SCIENCESDOE-NNSAFOREIGNU.S. OFFICE OF NAVAL RESEARCH
OSTI Identifier:
1372925
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review B; Journal Volume: 95; Journal Issue: 21
Country of Publication:
United States
Language:
ENGLISH
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Vadapoo, Rajasekarakumar, Ahart, Muhtar, Somayazulu, Maddury, Holtgrewe, Nicholas, Meng, Yue, Konopkova, Zuzana, Hemley, Russell J., and Cohen, R. E. Synthesis of a polar ordered oxynitride perovskite. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.95.214120.
Vadapoo, Rajasekarakumar, Ahart, Muhtar, Somayazulu, Maddury, Holtgrewe, Nicholas, Meng, Yue, Konopkova, Zuzana, Hemley, Russell J., & Cohen, R. E. Synthesis of a polar ordered oxynitride perovskite. United States. doi:10.1103/PhysRevB.95.214120.
Vadapoo, Rajasekarakumar, Ahart, Muhtar, Somayazulu, Maddury, Holtgrewe, Nicholas, Meng, Yue, Konopkova, Zuzana, Hemley, Russell J., and Cohen, R. E. Thu . "Synthesis of a polar ordered oxynitride perovskite". United States. doi:10.1103/PhysRevB.95.214120.
@article{osti_1372925,
title = {Synthesis of a polar ordered oxynitride perovskite},
author = {Vadapoo, Rajasekarakumar and Ahart, Muhtar and Somayazulu, Maddury and Holtgrewe, Nicholas and Meng, Yue and Konopkova, Zuzana and Hemley, Russell J. and Cohen, R. E.},
abstractNote = {For decades, numerous attempts have been made to produce polar oxynitride perovskites, where some of the oxygen is replaced by nitrogen, but a polar ordered oxynitride has never been demonstrated. Caracas and Cohen [Appl. Phys. Lett. 91, 092902 (2007)] studied possible ordered polar oxynitrides within density-functional theory (DFT) and found a few candidates that were predicted to be insulating and at least metastable. YSi O 2 N stood out with huge predicted polarization and nonlinear optic coefficients. In this study, we demonstrate the synthesis of perovskite-structured YSi O 2 N by using a combination of a diamond-anvil cell and in situ laser-heating techniques. Subsequent in situ x-ray diffraction, second-harmonic generation, and Raman-scattering measurements confirm that it is polar and a strong nonlinear optical material, with structure and properties similar to those predicted by DFT.},
doi = {10.1103/PhysRevB.95.214120},
journal = {Physical Review B},
number = 21,
volume = 95,
place = {United States},
year = {Thu Jun 01 00:00:00 EDT 2017},
month = {Thu Jun 01 00:00:00 EDT 2017}
}