Energy filtering-induced ultrahigh thermoelectric power factors in Ni$_3$Ge

Fuente: arXiv
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Autori principali: Garmroudi, Fabian, Di Cataldo, Simone, Parzer, Michael, Coulter, Jennifer, Iwasaki, Yutaka, Grasser, Matthias, Stockinger, Simon, Pázmán, Stephan, Witzmann, Sandra, Riss, Alexander, Michor, Herwig, Podloucky, Raimund, Khmelevskyi, Sergii, Georges, Antoine, Held, Karsten, Mori, Takao, Bauer, Ernst, Pustogow, Andrej
Natura: Preprint
Pubblicazione: 2025
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author Garmroudi, Fabian
Di Cataldo, Simone
Parzer, Michael
Coulter, Jennifer
Iwasaki, Yutaka
Grasser, Matthias
Stockinger, Simon
Pázmán, Stephan
Witzmann, Sandra
Riss, Alexander
Michor, Herwig
Podloucky, Raimund
Khmelevskyi, Sergii
Georges, Antoine
Held, Karsten
Mori, Takao
Bauer, Ernst
Pustogow, Andrej
author_facet Garmroudi, Fabian
Di Cataldo, Simone
Parzer, Michael
Coulter, Jennifer
Iwasaki, Yutaka
Grasser, Matthias
Stockinger, Simon
Pázmán, Stephan
Witzmann, Sandra
Riss, Alexander
Michor, Herwig
Podloucky, Raimund
Khmelevskyi, Sergii
Georges, Antoine
Held, Karsten
Mori, Takao
Bauer, Ernst
Pustogow, Andrej
contents Traditional thermoelectric materials rely on low thermal conductivity to enhance their efficiency but suffer from inherently limited power factors. Novel pathways to optimize electronic transport are thus crucial. Here, we achieve ultrahigh power factors in Ni$_3$Ge through a new materials design principle. When overlapping flat and dispersive bands are engineered to the Fermi level, charge carriers can undergo intense interband scattering, yielding an energy filtering effect similar to what has long been predicted in certain nanostructured materials. Via a multi-step DFT-based screening method developed herein, we discover a new family of L1$_2$-ordered binary compounds with ultrahigh power factors up to 11 mW m$^{-1}$ K$^{-2}$ near room temperature, which are driven by an intrinsic phonon-mediated energy filtering mechanism. Our comprehensive experimental and theoretical study of these new intriguing materials paves the way for understanding and designing high-performance scattering-tuned metallic thermoelectrics.
format Preprint
id arxiv_https___arxiv_org_abs_2501_04891
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Energy filtering-induced ultrahigh thermoelectric power factors in Ni$_3$Ge
Garmroudi, Fabian
Di Cataldo, Simone
Parzer, Michael
Coulter, Jennifer
Iwasaki, Yutaka
Grasser, Matthias
Stockinger, Simon
Pázmán, Stephan
Witzmann, Sandra
Riss, Alexander
Michor, Herwig
Podloucky, Raimund
Khmelevskyi, Sergii
Georges, Antoine
Held, Karsten
Mori, Takao
Bauer, Ernst
Pustogow, Andrej
Materials Science
Mesoscale and Nanoscale Physics
Traditional thermoelectric materials rely on low thermal conductivity to enhance their efficiency but suffer from inherently limited power factors. Novel pathways to optimize electronic transport are thus crucial. Here, we achieve ultrahigh power factors in Ni$_3$Ge through a new materials design principle. When overlapping flat and dispersive bands are engineered to the Fermi level, charge carriers can undergo intense interband scattering, yielding an energy filtering effect similar to what has long been predicted in certain nanostructured materials. Via a multi-step DFT-based screening method developed herein, we discover a new family of L1$_2$-ordered binary compounds with ultrahigh power factors up to 11 mW m$^{-1}$ K$^{-2}$ near room temperature, which are driven by an intrinsic phonon-mediated energy filtering mechanism. Our comprehensive experimental and theoretical study of these new intriguing materials paves the way for understanding and designing high-performance scattering-tuned metallic thermoelectrics.
title Energy filtering-induced ultrahigh thermoelectric power factors in Ni$_3$Ge
topic Materials Science
Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2501.04891