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PNO: A Promising Deep-UV Nonlinear Optical Material with Extremely High Second Harmonic Generation Effect

Optics 2022-08-29 v1 Materials Science

Abstract

In this work, the polar tetrahedron [PN2_2O2_2] was revealed as a new deep-ultraviolet (deep-UV) nonlinear optically active unit. Accordingly, a thermodynamically stable compound (PNO) consisting of the polar [PN2_2O2_2] units was predicted and suggested as a promising candidate of deep-UV nonlinear optical (NLO) material. Compared with other deep-UV materials known to date, PNO possesses the strongest second harmonic generation (SHG) coefficient (about 6 times that of KH2_2PO4_4 (KDP)). Moreover, its three-dimensional connectivity endows it with good mechanical and thermal properties. Therefore, PNO should be a new option for non-π\pi-conjugated deep-UV NLO materials.

Keywords

Cite

@article{arxiv.2208.12475,
  title  = {PNO: A Promising Deep-UV Nonlinear Optical Material with Extremely High Second Harmonic Generation Effect},
  author = {Congwei Xie and Abudukadi Tudi and Artem R. Oganov},
  journal= {arXiv preprint arXiv:2208.12475},
  year   = {2022}
}

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R2 v1 2026-06-25T01:59:41.894Z