Matches in SemOpenAlex for { <https://semopenalex.org/work/W4281752818> ?p ?o ?g. }
- W4281752818 abstract "The orthorhombic TiNiSi structure-type compounds show interesting electronic structures comprising in most cases a pseudogap in the density of states and several small electron and hole pockets at the Fermi energy. These features are promising and can be exploited to test their potential as thermoelectric materials for waste heat conversion. Here, we investigate the effect of electron doping in the semimetallic member $mathrm{ZrNiSi}$ of this family. We show that by doping with Sb for Si in $mathrm{ZrNiSi}, S$ and $ensuremath{sigma}$ can both be increased simultaneously for initial Sb doping defying the oppositely directed trend commonly observed in most materials. In the doped samples, $ensuremath{sigma}$ at $300phantom{rule{0.28em}{0ex}}mathrm{K}$ increases from $1000phantom{rule{0.28em}{0ex}}mathrm{S}phantom{rule{0.16em}{0ex}}{mathrm{cm}}^{ensuremath{-}1}$ to as high as $2500phantom{rule{0.28em}{0ex}}mathrm{S}phantom{rule{0.16em}{0ex}}{mathrm{cm}}^{ensuremath{-}1}$; at the same time, the peak value of $S$, which is $ensuremath{-}20phantom{rule{0.28em}{0ex}}ensuremath{mu}mathrm{V}phantom{rule{0.16em}{0ex}}{mathrm{K}}^{ensuremath{-}1}$ in $mathrm{ZrNiSi}$, increases by more than a factor of two. The simultaneous enhancement of $ensuremath{sigma}$ and $S$ has been explained using the first-principles density functional theory based band structure calculations. The as-cast (i.e., unannealed) ${mathrm{ZrNiSi}}_{1ensuremath{-}x}{mathrm{Sb}}_{x}$ samples show phase segregation due to a spinodal-type decomposition with two coexisting TiNiSi structure-type phases with different Sb/Si ratios. The thermal conductivity ($ensuremath{kappa}$) in the doped samples drops significantly from $12phantom{rule{0.28em}{0ex}}mathrm{W}phantom{rule{0.16em}{0ex}}{mathrm{m}}^{ensuremath{-}1}phantom{rule{0.16em}{0ex}}{mathrm{K}}^{ensuremath{-}1}$ ($x=0$) to nearly $2phantom{rule{0.28em}{0ex}}mathrm{W}phantom{rule{0.16em}{0ex}}{mathrm{m}}^{ensuremath{-}1}phantom{rule{0.16em}{0ex}}{mathrm{K}}^{ensuremath{-}1}$ ($x=0.2$) at 300 K. As a result, the peak thermoelectric figure of merit ($zT$) increases from 0.005 $(x=0)$ to 0.023 $(x=0.2)$. Further enhancement in $zT$ is obtained by codoping of Hf (Zr site) and Sb (Si site), which improves the phase stability and chemical homogeneity while keeping the thermal conductivity still very low due to Zr-Hf point mass fluctuation, resulting in a peak $zT$ value of 0.055, i.e., almost an order of magnitude higher value than for the pristine $mathrm{ZrNiSi}$. We show that the thermoelectric properties of TiNiSi structure-type semimetals can be enhanced by aliovalent doping. This principle can be employed on other members of the TiNiSi to improve the $zT$ in this family of compounds further." @default.
- W4281752818 created "2022-06-13" @default.
- W4281752818 creator A5018794527 @default.
- W4281752818 creator A5037835708 @default.
- W4281752818 creator A5071447687 @default.
- W4281752818 creator A5078911883 @default.
- W4281752818 date "2022-06-03" @default.
- W4281752818 modified "2023-10-18" @default.
- W4281752818 title "Enhancing thermoelectric properties in TiNiSi structure-type semimetal ZrNiSi by doping" @default.
- W4281752818 cites W1965905995 @default.
- W4281752818 cites W1969418431 @default.
- W4281752818 cites W1971617888 @default.
- W4281752818 cites W1981368803 @default.
- W4281752818 cites W1996496736 @default.
- W4281752818 cites W2018411175 @default.
- W4281752818 cites W2024367821 @default.
- W4281752818 cites W2036113194 @default.
- W4281752818 cites W2051967621 @default.
- W4281752818 cites W2072973725 @default.
- W4281752818 cites W2087585288 @default.
- W4281752818 cites W2092419653 @default.
- W4281752818 cites W2103654907 @default.
- W4281752818 cites W2120145199 @default.
- W4281752818 cites W2123164920 @default.
- W4281752818 cites W2148596493 @default.
- W4281752818 cites W2156225033 @default.
- W4281752818 cites W2201275841 @default.
- W4281752818 cites W2260501105 @default.
- W4281752818 cites W2412471713 @default.
- W4281752818 cites W2414068974 @default.
- W4281752818 cites W2464141635 @default.
- W4281752818 cites W2577581307 @default.
- W4281752818 cites W2597888814 @default.
- W4281752818 cites W2740998436 @default.
- W4281752818 cites W2791276565 @default.
- W4281752818 cites W2800187898 @default.
- W4281752818 cites W2800509104 @default.
- W4281752818 cites W2889393446 @default.
- W4281752818 cites W2890647721 @default.
- W4281752818 cites W2958253428 @default.
- W4281752818 cites W2982370422 @default.
- W4281752818 cites W3094469251 @default.
- W4281752818 cites W3101095095 @default.
- W4281752818 cites W3103864321 @default.
- W4281752818 cites W3105211215 @default.
- W4281752818 cites W3196012084 @default.
- W4281752818 cites W4205954867 @default.
- W4281752818 doi "https://doi.org/10.1103/physrevmaterials.6.065401" @default.
- W4281752818 hasPublicationYear "2022" @default.
- W4281752818 type Work @default.
- W4281752818 citedByCount "1" @default.
- W4281752818 countsByYear W42817528182023 @default.
- W4281752818 crossrefType "journal-article" @default.
- W4281752818 hasAuthorship W4281752818A5018794527 @default.
- W4281752818 hasAuthorship W4281752818A5037835708 @default.
- W4281752818 hasAuthorship W4281752818A5071447687 @default.
- W4281752818 hasAuthorship W4281752818A5078911883 @default.
- W4281752818 hasConcept C115516489 @default.
- W4281752818 hasConcept C115624301 @default.
- W4281752818 hasConcept C121332964 @default.
- W4281752818 hasConcept C130893637 @default.
- W4281752818 hasConcept C147120987 @default.
- W4281752818 hasConcept C185592680 @default.
- W4281752818 hasConcept C18903297 @default.
- W4281752818 hasConcept C192562407 @default.
- W4281752818 hasConcept C26057338 @default.
- W4281752818 hasConcept C26873012 @default.
- W4281752818 hasConcept C2777299769 @default.
- W4281752818 hasConcept C37243968 @default.
- W4281752818 hasConcept C40636707 @default.
- W4281752818 hasConcept C57863236 @default.
- W4281752818 hasConcept C62520636 @default.
- W4281752818 hasConcept C63024428 @default.
- W4281752818 hasConcept C8010536 @default.
- W4281752818 hasConcept C86803240 @default.
- W4281752818 hasConcept C97355855 @default.
- W4281752818 hasConceptScore W4281752818C115516489 @default.
- W4281752818 hasConceptScore W4281752818C115624301 @default.
- W4281752818 hasConceptScore W4281752818C121332964 @default.
- W4281752818 hasConceptScore W4281752818C130893637 @default.
- W4281752818 hasConceptScore W4281752818C147120987 @default.
- W4281752818 hasConceptScore W4281752818C185592680 @default.
- W4281752818 hasConceptScore W4281752818C18903297 @default.
- W4281752818 hasConceptScore W4281752818C192562407 @default.
- W4281752818 hasConceptScore W4281752818C26057338 @default.
- W4281752818 hasConceptScore W4281752818C26873012 @default.
- W4281752818 hasConceptScore W4281752818C2777299769 @default.
- W4281752818 hasConceptScore W4281752818C37243968 @default.
- W4281752818 hasConceptScore W4281752818C40636707 @default.
- W4281752818 hasConceptScore W4281752818C57863236 @default.
- W4281752818 hasConceptScore W4281752818C62520636 @default.
- W4281752818 hasConceptScore W4281752818C63024428 @default.
- W4281752818 hasConceptScore W4281752818C8010536 @default.
- W4281752818 hasConceptScore W4281752818C86803240 @default.
- W4281752818 hasConceptScore W4281752818C97355855 @default.
- W4281752818 hasFunder F4320320719 @default.
- W4281752818 hasFunder F4320320721 @default.
- W4281752818 hasFunder F4320325255 @default.
- W4281752818 hasIssue "6" @default.
- W4281752818 hasLocation W42817528181 @default.