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Title: Electronic and Thermoelectric Properties of CuCoO2

Abstract

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.

Authors:
 [1]
  1. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
932065
DOE Contract Number:
DE-AC05-00OR22725
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review B; Journal Volume: 76; Journal Issue: 8
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ELECTRONIC STRUCTURE; FUNCTIONALS; THERMOELECTRIC PROPERTIES; TRANSPORT; TRANSPORT THEORY; COPPER COMPOUNDS; Electronic; thermoelectric properties; CuCoO2

Citation Formats

Singh, David J. Electronic and Thermoelectric Properties of CuCoO2. United States: N. p., 2007. Web. doi:10.1103/PhysRevB.76.085110.
Singh, David J. Electronic and Thermoelectric Properties of CuCoO2. United States. doi:10.1103/PhysRevB.76.085110.
Singh, David J. Mon . "Electronic and Thermoelectric Properties of CuCoO2". United States. doi:10.1103/PhysRevB.76.085110.
@article{osti_932065,
title = {Electronic and Thermoelectric Properties of CuCoO2},
author = {Singh, David J},
abstractNote = {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.},
doi = {10.1103/PhysRevB.76.085110},
journal = {Physical Review B},
number = 8,
volume = 76,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}
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