3 papers
cond-mat.mtrl-sci2025
A full breakthrough in vacuum ultraviolet nonlinear optical performance of NH4B4O6F
Fangfang Zhang, Zilong Chen, Chen Cui +6
The lack of suitable vacuum ultraviolet (VUV) nonlinear optical (NLO) crystals has hindered the development of compact, high-power VUV sources via second harmonic generation (SHG).…
cond-mat.mtrl-sci2025
Origin of second harmonic generation in non-centrosymmetric crystal structures containing lone-pairs electrons
Fuming Li, Shilie Pan, Zhihua Yang
Material systems with lone-pair electrons have long been a treasure trove in the search for large second harmonic generation effects. Revealing the origin of second harmonic genera…
cond-mat.mtrl-sci2020
Prediction of Ternary Fluorooxoborates with Coplanar Triangle Units [BOxF3-x]x- From First-Principles
Zhonglei Wei, Wenyao Zhang, Hao Zeng +3
Ten new ternary fluorooxoborate structures were obtained from first-principles prediction. Coplanar aligned triangle structure units [BO2F]2- and [BOF2]- like [BO3]3- in borates we…