Journal
PHYSICAL REVIEW B
Volume 92, Issue 14, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.92.144301
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Funding
- U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division
- National Energy Research Scientific Computing Center (NERSC)
- Office of Science of the U. S. Department of Energy [DE-AC02-05CH11231]
- U.S. DOE, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Propulsion Materials Program
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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 k value of 0.7 Wm(-1) K-1 is approximately one order of magnitude too small; our calculations of k 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 k, 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.
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