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Abstract Edges and point defects in layered dichalcogenides are important for tuning their electronic and magnetic properties. By combining scanning tunneling microscopy (STM) with density functional theory (DFT), the electronic structure of edges and point defects in 2D‐PtSe2are investigated where the 1.8 eV bandgap of monolayer PtSe2facilitates the detailed characterization of defect‐induced gap states by STM. The stoichiometric zigzag edge terminations are found to be energetically favored. STM and DFT show that these edges exhibit metallic 1D states with spin polarized bands. Various native point defects in PtSe2are also characterized by STM. A comparison of the experiment with simulated images enables identification of Se‐vacancies, Pt‐vacancies, and Se‐antisites as the dominant defects in PtSe2. In contrast to Se‐ or Pt‐vacancies, the Se‐antisites are almost devoid of gap states. Pt‐vacancies exhibit defect induced states that are spin polarized, emphasizing their importance for inducing magnetism in PtSe2. The atomic‐scale insights into defect‐induced electronic states in monolayer PtSe2provide the fundamental underpinning for defect engineering of PtSe2‐monolayers and the newly identified spin‐polarized edge states offer prospects for engineering magnetic properties in PtSe2nanoribbons.
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Transport anomalies in the layered compound BaPt4Se6
Abstract We report a layered ternary selenide BaPt4Se6featuring sesqui-selenide Pt2Se3layers sandwiched by Ba atoms. The Pt2Se3layers in this compound can be derived from the Dirac-semimetal PtSe2phase with Se vacancies that form a honeycomb structure. This structure results in a Pt (VI) and Pt (II) mixed-valence compound with both PtSe6octahedra and PtSe4square net coordination configurations. Temperature-dependent electrical transport measurements suggest two distinct anomalies: a resistivity crossover, mimic to the metal-insulator (M-I) transition at ~150 K, and a resistivity plateau at temperatures below 10 K. The resistivity crossover is not associated with any structural, magnetic, or charge order modulated phase transitions. Magnetoresistivity, Hall, and heat capacity measurements concurrently suggest an existing hidden state below 5 K in this system. Angle-resolved photoemission spectroscopy measurements reveal a metallic state and no dramatic reconstruction of the electronic structure up to 200 K.
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- PAR ID:
- 10308184
- Publisher / Repository:
- Nature Publishing Group
- Date Published:
- Journal Name:
- npj Quantum Materials
- Volume:
- 6
- Issue:
- 1
- ISSN:
- 2397-4648
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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