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Electronic and Thermoelectric Properties of CuCoO2

Journal Article · · Physical Review B
Density functional calculations are used to elucidate the electronic structure and some transport properties of CuCoO{sub 2} . We find an electronic structure with similarities to Na{sub x}CoO{sub 2} , although it is much less two dimensional. In particular, there are narrow manifolds of t2{sub g} and e{sub g} states. Application of Boltzmann transport theory to the calculated band structure shows high thermopowers comparable to Na{sub x}CoO{sub 2} for both p - and n -type doping.
Research Organization:
Oak Ridge National Laboratory (ORNL)
Sponsoring Organization:
EE USDOE - Office of Energy Efficiency and Renewable Energy (EE)
DOE Contract Number:
AC05-00OR22725
OSTI ID:
932065
Journal Information:
Physical Review B, Journal Name: Physical Review B Journal Issue: 8 Vol. 76; ISSN PRBMDO; ISSN 0163-1829
Country of Publication:
United States
Language:
English

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