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

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.
Authors:
 [1] ;  [2] ;  [3] ;  [1] ;  [1] ;  [4] ;  [4] ;  [4] ;  [4] ;  [1] ;  [4] ;  [5]
  1. Univ. of Virginia, Charlottesville, VA (United States). Dept. of Mechanical and Aerospace Engineering
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  3. Univ. of Virginia, Charlottesville, VA (United States). Dept. of Material Science and Engineering
  4. Univ. of California, Los Angeles, CA (United States). Materials Science and Engineering
  5. Univ. of Virginia, Charlottesville, VA (United States). Dept. of Mechanical and Aerospace Engineering. Dept. of Material Science and Engineering. Dept. of Physics
Publication Date:
Report Number(s):
SAND-2018-9495J
Journal ID: ISSN 2475-9953; 667447
Grant/Contract Number:
NA0003525; FA9550-18-1-0352; N00014-18-1-2429
Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 2; Journal Issue: 9; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Univ. of Virginia, Charlottesville, VA (United States); Univ. of California, Los Angeles, CA (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC); US Air Force Office of Scientific Research (AFOSR); Nuclear Regulatory Commission (NRC) (United States); Office of Naval Research (ONR) (United States)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; lattice thermal conductivity; line defects; point defects; thermoreflectance; high-resolution transmission electron microscopy; ion implantation; X-ray diffraction
OSTI Identifier:
1472264
Alternate Identifier(s):
OSTI ID: 1471156

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, and Hopkins, Patrick E.. Phonon scattering effects from point and extended defects on thermal conductivity studied via ion irradiation of crystals with self-impurities. United States: N. p., Web. doi:10.1103/PhysRevMaterials.2.095001.
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.. Phonon scattering effects from point and extended defects on thermal conductivity studied via ion irradiation of crystals with self-impurities. United States. doi:10.1103/PhysRevMaterials.2.095001.
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, and Hopkins, Patrick E.. 2018. "Phonon scattering effects from point and extended defects on thermal conductivity studied via ion irradiation of crystals with self-impurities". United States. doi:10.1103/PhysRevMaterials.2.095001.
@article{osti_1472264,
title = {Phonon scattering effects from point and extended defects on thermal conductivity studied via ion irradiation of crystals with self-impurities},
author = {Scott, Ethan A. and Hattar, Khalid and Rost, Christina M. and Gaskins, John T. and Fazli, Mehrdad and Ganski, Claire and Li, Chao and Bai, Tingyu and Wang, Yekan and Esfarjani, Keivan and Goorsky, Mark and Hopkins, Patrick E.},
abstractNote = {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.},
doi = {10.1103/PhysRevMaterials.2.095001},
journal = {Physical Review Materials},
number = 9,
volume = 2,
place = {United States},
year = {2018},
month = {9}
}

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