Computational Discovery and Experimental Demonstration of Boron Phosphide Ultraviolet Nanoresonators

• Published in: Advanced optical materials 2022-08, Vol.10 (16), p.n/a
• Main Authors: Svendsen, Mark K., Sugimoto, Hiroshi, Assadillayev, Artyom, Shima, Daisuke, Fujii, Minoru, Thygesen, Kristian S., Raza, Søren
• Format: Article
• Language: English
• Subjects: boron phosphide; Boron phosphides; Electron energy; electron energy‐loss spectroscopy; Energy gap; First principles; high‐refractive‐index nanostructures; high‐throughput screening; Insulators; laser reshaping; Materials science; Materials selection; Mie resonances; Mie scattering; Nanoparticles; Optical measurement; Optics; Refractivity; Sterilization; Ultraviolet radiation
• ISSN: 2195-1071; 2195-1071
• DOI: 10.1002/adom.202200422

Controlling ultraviolet light at the nanoscale using optical Mie resonances holds great promise for a diverse set of applications, such as lithography, sterilization, and biospectroscopy. Access to the ultraviolet requires materials with a high refractive index and wide band gap energy. Here, the authors systematically search for such materials by computing the frequency‐dependent optical permittivity of 338 binary semiconductors and insulators from first principles, and evaluate their scattering properties using Mie theory. This analysis reveals several interesting candidate materials among which boron phosphide (BP) appears most promising. Then BP nanoparticles are prepared and it is demonstrated that they support Mie resonances at visible and ultraviolet wavelengths using both far‐field optical measurements and near‐field electron energy‐loss spectroscopy. A laser reshaping method is also presented to realize spherical Mie‐resonant BP nanoparticles. With a refractive index over three and low absorption losses in a broad spectral range spanning from the infrared to the near ultraviolet, BP is an appealing material for a broad range of applications in dielectric nanophotonics. High‐throughput computational screening of more than a thousand materials identifies boron phosphide (BP) as one of the most promising material for Mie‐resonant high‐refractive‐index nanoantennas operating in the visible and ultraviolet. Dark‐field and electron energy‐loss spectroscopy measurements on BP nanoparticles demonstrate size‐dependent Mie resonances.