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Phonon scattering effects from point and extended defects on thermal conductivity studied via ion irradiation of crystals with self-impurities

Scott, Ethan A.; Hattar, Khalid M.; Rost, Christina M.; Gaskins, John T.; Fazli, Mehrdad; Ganski, Claire; Li, Chao; Bai, Tingyu; Wang, Yekan; Esfarjani, Keivan; Goorsky, Mark; Hopkins, Patrick E.

Fundamental theories predict that reductions in thermal conductivity from point and extended defects can arise due to phonon scattering with localized strain fields. To experimentally determine how these strain fields impact phonon scattering mechanisms, we employ ion irradiation as a controlled means of introducing strain and assorted defects into the lattice. In particular, we observe the reduction in thermal conductivity of intrinsic natural silicon after self-irradiation with two different silicon isotopes, Si+28 and Si+29. Irradiating with an isotope with a nearly identical atomic mass as the majority of the host lattice produces a damage profile lacking mass impurities and allows us to assess the role of phonon scattering with local strain fields on the thermal conductivity. Our results demonstrate that point defects will decrease the thermal conductivity more so than spatially extended defect structures assuming the same volumetric defect concentrations due to the larger strain per defect that arises in spatially separated point defects. With thermal conductivity models using density functional theory, we show that for a given defect concentration, the type of defect (i.e., point vs extended) plays a negligible role in reducing the thermal conductivity compared to the strain per defect in a given volume.