Bonding and Electronic Nature of the Anionic Framework in LaPd3S4

Berry T, Nicklas M, Yang Q, Schnelle W, Wawrzynczak R, Forster T, Gooth J, Felser C, Mcqueen TM (2022)

Publication Type: Journal article

Publication year: 2022

Journal

Chemistry of Materials American Chemical Society

Book Volume: 34

Pages Range: 10390-10398

Journal Issue: 23

DOI: 10.1021/acs.chemmater.2c02147

Abstract

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 μ0H = 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.

Involved external institutions

Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS) / Max Planck Institute for Chemical Physics of Solids DE Germany (DE) Helmholtz-Zentrum Dresden-Rossendorf (HZDR) DE Germany (DE) Johns Hopkins University (JHU) US United States (USA) (US)

How to cite

APA:

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

MLA:

Berry, Tanya, et al. "Bonding and Electronic Nature of the Anionic Framework in LaPd3S4." Chemistry of Materials 34.23 (2022): 10390-10398.

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