Matches in SemOpenAlex for { <https://semopenalex.org/work/W1497382652> ?p ?o ?g. }
- W1497382652 abstract "Thermoelectric properties of the system La${}_{2}$NiO${}_{4+ensuremath{delta}}$ have been studied ab initio. Large Seebeck coefficient values are predicted for the parent compound, and to some extent remain in the hole-doped metallic phase, accompanied by an increase in the conductivity. This system, due to its layered structure, would be a suitable candidate for an improvement of its thermoelectric figure of merit by nanostructurization in thin films, which has already been shown to increase the electrical conductivity ($ensuremath{sigma}$). Our calculations show that in the region around La${}_{2}$NiO${}_{4.05}$, the system has a large thermopower at high temperatures and also a substantially increased $ensuremath{sigma}$. Films grown with this low-doping concentration will show an optimal relationship between thermopower and $ensuremath{sigma}$. This result is obtained for various exchange-correlation schemes (correlated, uncorrelated, and parameter free) that we use to analyze the electronic structure of the hole-doped compound." @default.
- W1497382652 created "2016-06-24" @default.
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- W1497382652 date "2012-10-10" @default.
- W1497382652 modified "2023-09-26" @default.
- W1497382652 title "Enhanced thermoelectric response of hole-doped La<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>NiO<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mrow><mml:mn>4</mml:mn><mml:mo>+</mml:mo><mml:mi>δ</mml:mi></mml:mrow></mml:msub></mml:math>from<i>ab initio</i>calculations" @default.
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- W1497382652 doi "https://doi.org/10.1103/physrevb.86.165114" @default.
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