Prediction of polar ordered oxynitride perovskites

Razvan Caracas; R. E. Cohen

doi:10.1063/1.2776370

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arXiv · 0709.0379

Prediction of polar ordered oxynitride perovskites

Razvan Caracas·R. E. Cohen

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Abstract

Using a materials by design approach, the authors find a class of ordered oxynitride piezoelectrics with perovskite structure. They predict that ordered YSiO2N and YGeO2N are characterized by large nonlinear optic responses and by some of the largest polarizations known to date.

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Razvan Caracas, R. E. Cohen. 2007-09-04. Prediction of polar ordered oxynitride perovskites. https://doi.org/10.1063/1.2776370

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