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Title: Calculated transport properties of CdO: thermal conductivity and thermoelectric power factor

Abstract

We present first principles calculations of the thermal and electronic transport properties of the oxide semiconductor CdO. In particular, we find from theory that the accepted thermal conductivity κ value of 0.7 Wm-1K-1 is approximately one order of magnitude too small; our calculations of κ of CdO are in good agreement with recent measurements. We also find that alloying of MgO with CdO is an effective means to reduce the lattice contribution to κ, despite MgO having a much larger thermal conductivity. We further consider the electronic structure of CdO in relation to thermoelectric performance, finding that large thermoelectric power factors may occur if the material can be heavily doped p-type. This work develops insight into the nature of thermal and electronic transport in an important oxide semiconductor.

Authors:
 [1];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
1223080
Alternate Identifier(s):
OSTI ID: 1222503
Grant/Contract Number:  
AC05-00OR22725; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 92; Journal Issue: 14; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Lindsay, Lucas R., and Parker, David S. Calculated transport properties of CdO: thermal conductivity and thermoelectric power factor. United States: N. p., 2015. Web. doi:10.1103/PhysRevB.92.144301.
Lindsay, Lucas R., & Parker, David S. Calculated transport properties of CdO: thermal conductivity and thermoelectric power factor. United States. https://doi.org/10.1103/PhysRevB.92.144301
Lindsay, Lucas R., and Parker, David S. Thu . "Calculated transport properties of CdO: thermal conductivity and thermoelectric power factor". United States. https://doi.org/10.1103/PhysRevB.92.144301. https://www.osti.gov/servlets/purl/1223080.
@article{osti_1223080,
title = {Calculated transport properties of CdO: thermal conductivity and thermoelectric power factor},
author = {Lindsay, Lucas R. and Parker, David S.},
abstractNote = {We present first principles calculations of the thermal and electronic transport properties of the oxide semiconductor CdO. In particular, we find from theory that the accepted thermal conductivity κ value of 0.7 Wm-1K-1 is approximately one order of magnitude too small; our calculations of κ of CdO are in good agreement with recent measurements. We also find that alloying of MgO with CdO is an effective means to reduce the lattice contribution to κ, despite MgO having a much larger thermal conductivity. We further consider the electronic structure of CdO in relation to thermoelectric performance, finding that large thermoelectric power factors may occur if the material can be heavily doped p-type. This work develops insight into the nature of thermal and electronic transport in an important oxide semiconductor.},
doi = {10.1103/PhysRevB.92.144301},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 14,
volume = 92,
place = {United States},
year = {Thu Oct 01 00:00:00 EDT 2015},
month = {Thu Oct 01 00:00:00 EDT 2015}
}

Journal Article:

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Cited by: 21 works
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