%0 Journal Article %1 noauthororeditor %A Berry, Tanya %A Nicklas, Michael %A Yang, Qun %A Schnelle, Walter %A Wawrzyńczak, Rafał %A Förster, Tobias %A Gooth, Johannes %A Felser, Claudia %A McQueen, Tyrel M. %D 2022 %I American Chemical Society %J Chem. Mater. %K a %N 23 %P 10390-10398 %R 10.1021/acs.chemmater.2c02147 %T Bonding and electronic nature of the anionic framework in LaPd$_3$S$_4$ %U https://doi.org/10.1021/acs.chemmater.2c02147 %V 34 %X 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.

@article{noauthororeditor, 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.}, added-at = {2023-06-15T13:57:40.000+0200}, author = {Berry, Tanya and Nicklas, Michael and Yang, Qun and Schnelle, Walter and Wawrzyńczak, Rafał and Förster, Tobias and Gooth, Johannes and Felser, Claudia and McQueen, Tyrel M.}, biburl = {https://www.bibsonomy.org/bibtex/2321cdc2708549ef3b39fd20119672702/ctqmat}, day = 02, description = {Bonding and electronic nature of the anionic framework in LaPd3S4}, doi = {10.1021/acs.chemmater.2c02147}, interhash = {4318346b6d40b55767392fc9ac932e2c}, intrahash = {321cdc2708549ef3b39fd20119672702}, issn = {0897-4756}, journal = {Chem. Mater.}, keywords = {a}, month = {12}, number = 23, pages = {10390-10398}, publisher = {American Chemical Society}, timestamp = {2023-11-23T12:58:21.000+0100}, title = {Bonding and electronic nature of the anionic framework in LaPd$_{\mathbf{3}}$S$_{\mathbf{4}}$}, url = {https://doi.org/10.1021/acs.chemmater.2c02147}, volume = 34, year = 2022 }