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Ion beam irradiation has recently emerged as a versatile approach tofunctional materials design. We show in this work that patterned defectiveregions generated by ion beam irradiation of silicon can create a phonon glasselectron crystal (PGEC), a longstanding goal of thermoelectrics. By controllingthe effective diameter of and spacing between the defective regions, moleculardynamics simulations suggest a reduction of the thermal conductivity by afactor of $\approx$20 is achievable. Boltzmann theory shows that thethermoelectric power factor remains largely intact in the damaged material. Tofacilitate the Boltzmann theory, we derive an analytical model for electronscattering with cylindrical defective regions based on partial wave analysis.Together we predict a figure of merit of ZT$\approx$0.5 or more at roomtemperature for optimally patterned geometries of these silicon metamaterials.These findings indicate that nanostructuring of patterned defective regions incrystalline materials is a viable approach to realize a PGEC, and ion beamirradiation could be a promising fabrication strategy.

Thermoelectric phonon glass electron crystal via ion beam patterning of silicon