Xinjiang Technical Institute of Physics & Chemistry

Impact of scissors-correction schemes on first-principles calculations of second-harmonic generation in ultraviolet nonlinear-optical crystals

In this work, we assess two widely used scissors-correction schemes for first-principles calculations of second-harmonic generation in representative borate and phosphate ultraviolet nonlinear-optical (UV-NLO) crystals, namely scheme-L [Z. H. Levine and D. C. Allan, Phys. Rev. Le...

Graphene‐Engineered Rear Interfaces Enable Efficient Flexible CZTSSe Solar Cells on Metal Foils

ABSTRACT Flexible kesterite (S,Se) (CZTSSe) solar cells on metal foils are attractive for lightweight and conformable photovoltaic applications, yet their efficiencies remain significantly lower than those of rigid devices due to severe foil‐induced rear‐interface losses during h...

Designing Novel Solar‐Blind Ultraviolet Nonlinear Optical Crystals Based on Local Proton Distribution Complementary Effect

ABSTRACT Dipolar π‐conjugated groups with large polarizability anisotropy and hyperpolarizability are generally regarded as important nonlinear optical (NLO) active building units. However, their strong dipole‐dipole interactions remain a key challenge in designing non‐centrosymm...