To achieve efficient frequency conversion, the nonlinear ultraviolet crystal must have a strong second harmonic generation and possible phase adaptation conditions, which brought us back to the calculations of the first principles that currently predict that SrBi₂B₂O₇ potentially represents a new class of materials with such characteristics.For this purpose, we present in our work, a first analysis of the dynamic, binding of the single crystal of SrBi₂B₂O₇ To highlight these properties, both density functional theory and topological analysis were used. The compound is found to have an indirect wide band gap and an interesting link pattern. According to the results, the dominant component of the second-order susceptibility is d33, whose value is 3.6 times higher than that of KDP, which makes SrBi2B2O7 very promising as a UV NLO material. In this way, the SrBi2B2O7 can be used to absorb light sources below 200 nm.

keywords: Crystal SrBi₂B₂O7, band gap, second harmonic generation.