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

doi:10.1103/PhysRevMaterials.2.095001

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

Journal Article · Mon Sep 17 00:00:00 EDT 2018 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.2.095001· OSTI ID:1472264

Scott, Ethan A. ^[1]; Hattar, Khalid ^[2]; Rost, Christina M. ^[3]; Gaskins, John T. ^[1]; Fazli, Mehrdad ^[1]; Ganski, Claire ^[4]; Li, Chao ^[4]; Bai, Tingyu ^[4]; Wang, Yekan ^[4]; Esfarjani, Keivan ^[1]; Goorsky, Mark ^[4]; Hopkins, Patrick E. ^[5]

Univ. of Virginia, Charlottesville, VA (United States). Dept. of Mechanical and Aerospace Engineering
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Univ. of Virginia, Charlottesville, VA (United States). Dept. of Material Science and Engineering
Univ. of California, Los Angeles, CA (United States). Materials Science and Engineering
Univ. of Virginia, Charlottesville, VA (United States). Dept. of Mechanical and Aerospace Engineering. Dept. of Material Science and Engineering. Dept. of Physics

Fundamental theories predict that reductions in thermal conductivity from point and extended defects can arise due to phonon scattering with localized strain fields. In this paper, 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, $$^{28}\mathrm{Si}^{+}$$ and $$^{29}\mathrm{Si}^{+}$$. 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. Finally, 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.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Univ. of California, Los Angeles, CA (United States); Univ. of Virginia, Charlottesville, VA (United States)

Sponsoring Organization:: Air Force Office of Scientific Research (AFOSR) (United States); Nuclear Regulatory Commission (NRC) (United States); Office of Naval Research (ONR) (United States); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC)

Grant/Contract Number:: NA0003525

OSTI ID:: 1472264

Alternate ID(s):: OSTI ID: 1667394
OSTI ID: 1471156

Report Number(s):: SAND--2018-9495J; SAND--2020-8578J; 667447

Journal Information:: Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 9 Vol. 2; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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

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