Thermoelectric properties of rhodates: Layered<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>β</mml:mi><mml:mtext>−</mml:mtext><mml:msub><mml:mi>SrRh</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>and spinel<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi>ZnRh</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvar

Wilson-Short, G.B.; Singh, David J.; Fornari, Marco; Suewattana, Malliga

doi:10.1103/physrevb.75.035121

Cited by 44 publications

(35 citation statements)

References 49 publications

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“…This approach has evolved as a standard tool for the prediction and identification of qualitative trends in a wide variety of materials, 48,49 including the prediction of oxidic systems, 50,51 and has been applied successfully to several delafossites in the past. 52,53 Concerning PdCoO 2 and PtCoO 2 , particular emphasis was laid on the explanation of the large anisotropy in conductivity and thermopower (Seebeck coefficient), 16,17,44 but also on the description of the large out-of-plane magnetoresistance encountered in PdCoO 2 under the rotation of a large in-plane magnetic field.…”

Section: Electronic Conductivity Under Epitaxial Strainmentioning

confidence: 99%

Impact of strain-induced electronic topological transition on the thermoelectric properties ofPtCoO2andPdCoO2

Gruner

Eckern

2015

Phys. Rev. B

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By a combination of first-principles calculations and semi-classical Boltzmann transport theory, we investigate the effect of epitaxial strain on the electronic structure and transport properties of PtCoO2 and PdCoO2. In contrast to the rather uniform elastic response of both systems, we predict for PtCoO2 a high sensitivity of the out-of-plane transport properties to strain, which is not present in PdCoO2. At ambient temperature, we identify a considerable absolute change in the thermopower from −107 µV/K at −5 % compressive strain to −303 µV/K at +5 % tensile strain. This remarkable response is related to distinct changes of the Fermi surface, which involve the crossing of two additional bands at a moderate compressive in-plane strain. Combining our transport results with available experimental data on electrical and lattice thermal conductivity we predict a thermoelectric figure of merit of up to ZT = 0.25 at T = 600 K for strained PtCoO2.

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Section: Electronic Conductivity Under Epitaxial Strainmentioning

confidence: 99%

Impact of strain-induced electronic topological transition on the thermoelectric properties ofPtCoO2andPdCoO2

Gruner

Eckern

2015

Phys. Rev. B

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“…5 18 The results show that ZnRh 2 O 4 , if doped with mobile carriers, is predicted to have a large thermopower at high metallic doping levels.…”

mentioning

confidence: 90%

Thermoelectric Properties of Na x CoO2 and Prospects for Other Oxide Thermoelectrics

Singh

Kasinathan

2007

Journal of Elec Materi

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We discuss the thermoelectric properties of Na x CoO 2 using the electronic structure, as determined in first principles calculations, and Boltzmann kinetic transport theory. The Fermi energy lies near the top of a manifold of Co t 2g bands. These t 2g bands are separated by a large gap from the higherlying e g states. Although the large crystal-field splitting implies substantial Co-O hybridization, the bands are narrow. Application of standard Boltzmann transport theory to such a narrow band structure yields high thermopowers in accord with experimental observations, even for high metallic carrier densities. The high thermopowers observed for Na x CoO 2 can therefore be explained by standard band theory and do not rely on low dimensionality or correlation effects specific to Co. We also present results for the cubic spinel structure ZnRh 2 O 4 . Like Na x CoO 2 , this compound has very narrow valence bands. We find that if it could be doped with mobile carriers, it would also have a high thermopower, comparable with that of Na x CoO 2 .

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“…Such an enhancement has been related to the narrowness of the d bands and the abrupt increase of the resistivity near the Fermi level. A similar argument has been, recently, invoked to account for the high Seebeck coefficients measured in some oxides [38][39][40] such as cobaltates, rhodates and perovskites (SrTi0 3 , KTa0 3 and BaTi0 3 ) when suitably doped with electrons and holes. In these cases, doping introduces a narrow additional band that is considered to be responsible for the high |S| values.…”

Section: Resultsmentioning

confidence: 99%

Electronic structure of copper nitrides as a function of nitrogen content

et al. 2013

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The nitrogen content dependence of the electronic properties for copper nitride thin films with an atomic percentage of nitrogen ranging from 26 ± 2 to 33 ± 2 have been studied by means of optical (spectroscopic ellipsometry), thermoelectric (Seebeck), and electrical resistivity measurements. The optical spectra are consistent with direct optical transitions corresponding to the stoichiometric semiconductor Cu 3 N plus a free-carrier contribution, essentially independent of temperature, which can be tuned in accordance with the N-excess. Deviation of the N content from stoichiometry drives to significant decreases from -5 to -50 uV/K in the Seebeck coefficient and to large enhancements, from 10~3 up to 10 O cm, in the electrical resistivity. Band structure and density of states calculations have been carried out on the basis of the density functional theory to account for the experimental results.

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Thermoelectric properties of rhodates: Layeredβ−SrRh2O4and spinelZnRh2

Cited by 44 publications

References 49 publications

Impact of strain-induced electronic topological transition on the thermoelectric properties ofPtCoO2andPdCoO2

Impact of strain-induced electronic topological transition on the thermoelectric properties ofPtCoO2andPdCoO2

Thermoelectric Properties of Na x CoO2 and Prospects for Other Oxide Thermoelectrics

Electronic structure of copper nitrides as a function of nitrogen content

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