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  Bonding and Electronic Nature of the Anionic Framework in LaPd3S4

Berry, T., Nicklas, M., Yang, Q., Schnelle, W., Wawrzyńczak, R., Förster, T., et al. (2022). Bonding and Electronic Nature of the Anionic Framework in LaPd3S4. Chemistry of Materials, 34(23), 10390-10398. doi:10.1021/acs.chemmater.2c02147.

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Berry, Tanya1, Autor
Nicklas, Michael2, Autor           
Yang, Qun3, Autor           
Schnelle, Walter4, Autor           
Wawrzyńczak, Rafał3, Autor           
Förster, Tobias1, Autor
Gooth, Johannes5, Autor           
Felser, Claudia6, Autor           
McQueen, Tyrel M.1, Autor
Affiliations:
1External Organizations, ou_persistent22              
2Michael Nicklas, Physics of Quantum Materials, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863472              
3Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              
4Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
5Nanostructured Quantum Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_3018212              
6Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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 Zusammenfassung: Double Dirac materials are a topological phase of matter in which a non-symmorphic symmetry enforces greater electronic degeneracy than normally expected - up to eightfold. The cubic palladium bronzes NaPd3O4 and LaPd3S4 are built of Pd3X4 (X = O, S) anionic frameworks that are ionically bonded to A cations (A = Na, La). These materials were recently identified computationally as harboring eightfold fermions. Here we report the preparation of single crystals and electronic properties of LaPd3S4. Measurements down to T = 0.45 K and in magnetic fields up to mu 0H = 65 T are consistent with normal Fermi liquid physics of a Dirac metal in the presence of dilute magnetic impurities. This interpretation is further confirmed by analysis of specific heat, magnetization measurements and comparison to density functional theory (DFT) calculations. Through a bonding analysis of the DFT electronic structure of NaPd3O4 and LaPd3S4, we identify the origin of the stability of the anionic Pd3X4 framework at higher electron counts for X = S than X = O, and propose chemical tuning strategies to enable shifting the 8-fold fermion points to the Fermi level.

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Sprache(n): eng - English
 Datum: 2022-12-022022-12-02
 Publikationsstatus: Erschienen
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 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: -
 Identifikatoren: ISI: 000897550200001
DOI: 10.1021/acs.chemmater.2c02147
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Titel: Chemistry of Materials
  Kurztitel : Chem. Mater.
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: Washington, D.C. : American Chemical Society
Seiten: - Band / Heft: 34 (23) Artikelnummer: - Start- / Endseite: 10390 - 10398 Identifikator: ISSN: 0897-4756
CoNE: https://pure.mpg.de/cone/journals/resource/954925561571