Inorganic Chemistry · 2025 · 37 citations · 42 references
Natural SciencesMaterials EngineeringMaterials ScienceFunctional MaterialsOptical MaterialsOptoelectronicsOptical CeramicsOptical Properties Of MaterialsOptical Properties Of SolidsPerovskite MaterialsRefractive IndexBand GapBand Gap DeterminationBirefringenceCrystal Optical ConstantsNanostructured Optoelectronic MaterialsOptical Band GapPolarized Light MicroscopyRefractive Index Measurement
As promising optoelectronic functional materials in the short-wavelength spectral region, such as ultraviolet (UV) and deep UV, phosphates have recently received increased attention. However, phosphate materials commonly suffer from limited birefringence owing to the highly symmetrical PO 4 tetrahedra. We herein report a layered tin(II) phosphate with improved birefringence. By employing a polarizing microscope, the measured refractive index difference determined on a (010) wafer is 0.042@550 nm, which is very close to the calculated refractive index difference of 0.039@550 nm between n x and n z through the density functional theory (DFT) method. The largest birefringence appears on the (100) plane, which is theoretically determined to be 0.078@550 nm. Single crystals of SnHPO 4 measuring 20 × 4 × 3 mm 3 can be easily grown by a hydrothermal method. In addition, SnHPO 4 is UV transparent with a short UV absorption cutoff edge of 242 nm and an optical band gap of 4.50 eV, implying that it could be a potential UV birefringent material.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
First-principles simulation: ideas, illustrations and the CASTEP code
Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text