Third order non-linear optical susceptibilities <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si24.svg"><mml:mrow><mml:msup><mml:mrow><mml:mo stretchy="false">(</mml:mo><mml:mi>χ</mml:mi></mml:mrow><mml:mfenced open="(" close=")"><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:mfenced></mml:msup><mml:mrow><mml:mo stretchy="false">)</mml:mo></mml:mrow></mml:mrow></mml:math> of yttria stabilized cubic hafnium(IV) oxide

• The NLO capacity of YSZ is comparable to YSZ. Evidence significant vibrational contributions the optical third order nonlinearities Yttria stabilized hafnia are reported. electronic properties YSH do not constitute subjects strong spin orbit coupling effects. This work reports for first time theoretical nonlinear susceptibilities bulk phases which key telecommunication technologies and integrated photonic devices. Our outcomes, relying on coupled perturbed Kohn-Sham density functional theory expose that should be similar another material this family, namely, yttria zirconia has been proposed as a promising candidate photonics by Marcaud et al. (2020). Finally, evidence implying important systems revealed analyzed.