2023
DOI: 10.1021/jacs.2c12877
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Discordant Distortion in Cubic GeMnTe2 and High Thermoelectric Properties of GeMnTe2-x%SbTe

Abstract: GeMnTe2 adopts a cubic rock salt structure and is a promising mid-temperature thermoelectric material. The pair distribution function analysis of neutron total scattering data, however, indicates that GeMnTe2 is locally distorted from the ideal rock salt structure with Ge2+ cations being discordant and displaced ∼0.3 Å off the octahedron center. By alloying GeMnTe2 with SbTe, the carrier concentration can be tuned in GeMnTe2-x%SbTe (x = 15.1), leading to converged multiple broad valence bands and a high Seebec… Show more

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Cited by 30 publications
(17 citation statements)
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“…As may be seen, the electrical conductivity of GeMnTe 2 −2%SbTe exhibits an inflection point near 600 K, which was attributed to the bipolar effect in previous study. 40,42,43 In GeMnTe 2 −x%SbTe, the carrier concentration varies from 3 × 10 20 to 13 × 10 20 cm −3 , whereas the position of the inflection point is fixed at 600 K. 42 As for normal semiconductors containing two kinds of carrier, the Seebeck coefficient and electrical conductivity can be written as = + semi e h…”
Section: ■ Results and Discussionmentioning
confidence: 99%
“…As may be seen, the electrical conductivity of GeMnTe 2 −2%SbTe exhibits an inflection point near 600 K, which was attributed to the bipolar effect in previous study. 40,42,43 In GeMnTe 2 −x%SbTe, the carrier concentration varies from 3 × 10 20 to 13 × 10 20 cm −3 , whereas the position of the inflection point is fixed at 600 K. 42 As for normal semiconductors containing two kinds of carrier, the Seebeck coefficient and electrical conductivity can be written as = + semi e h…”
Section: ■ Results and Discussionmentioning
confidence: 99%
“…The second CBM is situated at Γ point with an energy offset of 0.19 eV. Although the energy offset is relatively large to induce the band convergence effect, there are still possibilities for achieving it through proper element doping or alloying. , Furthermore, the valence band maximum (VBM, L point with N v of 4) and second VBM ( N v of 12) are converged with an energy offset of less than 0.1 eV, indicating that there are possibility to achieve p-type AgBiPbS 3 with good thermoelectric performance as well.…”
Section: Resultsmentioning
confidence: 99%
“…The performance of thermoelectric materials is characterized by the dimensionless figure of merit, ZT = S M 2 σT/κ, where S M is Seebeck coefficients (normally S is used to represent the Seebeck coefficient, here the subscript is used to distinguish Seebeck coefficient from the entropy), σ is electrical conductivity, κ is thermal conductivity, and T is the absolute temperature. [19][20][21] Physical properties are not only attributed to individual constituent elements but also to their mutual interactions. Different elements have different atomic masses and ionic radii, which would also lead to bonds with different strengths.…”
Section:  Main Textmentioning
confidence: 99%