Valence band electronic structure of the van der Waals antiferromagnet FePS3

Nitschke, Jonah Elias; Esteras, Dorye L.; Gutnikov, Michael; Schiller, Karl; Mañas-Valero, Samuel; Coronado, Eugenio; Stupar, Matija; Zamborlini, Giovanni; Ponzoni, Stefano; Baldoví, José J.; Cinchetti, Mirko

doi:10.1016/j.mtelec.2023.100061

Cited by 3 publications

(2 citation statements)

References 44 publications

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“…For example, near-edge X-ray absorption fine structure (NEXAFS) and resonant photoelectron spectroscopy (ResPES) allowed one to assign MnPX 3 and FePX 3 to the class of Mott–Hubbard insulators, − NiPS 3 to the class of charge-transfer insulators, , whereas CoPS 3 has a mixed character of the insulating state . It is interesting that mixed Fe x Ni y PS 3 alloys demonstrate a dual character of the insulating state in their electronic structure pointing to very weak (if any) hybridization of Fe- and Ni-derived electronic states. , Recent angle-resolved photoelectron spectroscopy experiments on different MPX 3 materials demonstrate a rather good agreement with available calculated band structures, allowing us to identify partial elemental and orbital contributions in the electronic structure. ,− …”

Section: Introductionmentioning

confidence: 99%

Electronic Correlations in Multiferroic Van der Waals CuCrP₂S₆: Insights from X-ray Spectroscopy and DFT

Guo,

Yang,

Zhou

et al. 2024

J. Phys. Chem. C

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The electronic structure of high-quality van der Waals multiferroic CuCrP 2 S 6 crystals was investigated by applying photoelectron spectroscopy methods in combination with DFT analysis. Using X-ray photoelectron and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy at the Cu L 2,3 and Cr L 2,3 absorption edges, we determine the charge states of ions in the studied compound. Analyzing the systematic NEXAFS and resonant photoelectron spectroscopy data at the Cu/Cr L 2,3 absorption edges allowed us to assign the CuCrP 2 S 6 material to a Mott−Hubbard type insulator and identify different Auger-decay channels (participator vs spectator) during absorption and autoionization processes. Spectroscopic and theoretical data obtained for CuCrP 2 S 6 are very important for the detailed understanding of the electronic structure and electron-correlations phenomena in different layered materials, which will drive their further applications in different areas, like electronics, spintronics, sensing, and catalysis.

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Section: Introductionmentioning

confidence: 99%

Electronic Correlations in Multiferroic Van der Waals CuCrP₂S₆: Insights from X-ray Spectroscopy and DFT

Guo,

Yang,

Zhou

et al. 2024

J. Phys. Chem. C

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“…The detailed electronic structure E ( k ) of MPX 3 using angular-resolved photoelectron spectroscopy (ARPES) was recently addressed in a series of works for CoPS 3 and FePS 3 , , and quite good agreement was found between experimental data and theoretical results obtained within the density functional theory (DFT) approach using HSE06 and PBE+ U ( U = 1.9 eV) functionals, respectively. However, the respective data for NiPS 3 and mixed Fe x Ni y PS 3 vdW alloys are not available.…”

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confidence: 99%

Electronic Correlations in Fe_xNi_yPS₃ Van der Waals Materials: Insights from Angle-Resolved Photoelectron Spectroscopy and DFT

Yan,

Jin,

Voloshina

et al. 2023

J. Phys. Chem. Lett.

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Recently layered antiferromagnetic materials with different magnetic orderings attract increased attention. It was found that these properties can be preserved down to the monolayer limit opening large perspectives for their applications in (opto)spintronics and sensing, however, lacking the experimental results on electronic structure studies. Here the results of angle-resolved photoelectron spectroscopy (ARPES) studies accompanied by DFT calculations for Fe x Ni y PS 3 layered van der Waals (vdW) alloys are presented, addressing the effects of electronic correlations in these materials. It is demonstrated that in the case of FePS 3 the top of the valence band is formed by the hybrid Fe 3d−S 3p states and is of pure S 3p character for NiPS 3 , respectively, whereas for the mixed Fe−Ni-based vdW alloy the electronic structure is a sum of contributions from the parent compounds. The obtained results give a clear understanding of the nature of the insulating state in studied MPX 3 materials and pave the way on their applications in different areas.

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Unveiling charge transport in monolayer and few-layer CoPS3/metal contact: Insight from C-AFM

Yan,

Wang,

Wei

et al. 2024

APL Materials

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Monolayer and few-layer CoPS3 have been successfully synthesized via an Au-assisted exfoliation technique, with their transport properties subsequently investigated by conductive atomic force microscopy. Rectification effects can be observed in CoPS3 nanosheets due to the Schottky junction formation at the Au/CoPS3 interface, especially in configurations comprising two or more layer flakes. The distinct transport properties between monolayer and few-layer samples demonstrate that the charge transport behavior in the vertical direction is associated with the van der Waals gap. The calculated electron affinity for CoPS3 is about 4.84 eV, as revealed by the thermionic emission model. The results obtained contribute to the knowledge base concerning the transport characteristics of ultrathin MPX3, facilitating further exploration of the transport behavior of these materials and their potential applications in novel electronic devices.

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Valence band electronic structure of the van der Waals antiferromagnet FePS3

Cited by 3 publications

References 44 publications

Electronic Correlations in Multiferroic Van der Waals CuCrP₂S₆: Insights from X-ray Spectroscopy and DFT

Electronic Correlations in Multiferroic Van der Waals CuCrP₂S₆: Insights from X-ray Spectroscopy and DFT

Electronic Correlations in Fe_xNi_yPS₃ Van der Waals Materials: Insights from Angle-Resolved Photoelectron Spectroscopy and DFT

Unveiling charge transport in monolayer and few-layer CoPS3/metal contact: Insight from C-AFM

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Valence band electronic structure of the van der Waals antiferromagnet FePS3

Cited by 3 publications

References 44 publications

Electronic Correlations in Multiferroic Van der Waals CuCrP2S6: Insights from X-ray Spectroscopy and DFT

Electronic Correlations in Multiferroic Van der Waals CuCrP2S6: Insights from X-ray Spectroscopy and DFT

Electronic Correlations in FexNiyPS3 Van der Waals Materials: Insights from Angle-Resolved Photoelectron Spectroscopy and DFT

Unveiling charge transport in monolayer and few-layer CoPS3/metal contact: Insight from C-AFM

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Electronic Correlations in Multiferroic Van der Waals CuCrP₂S₆: Insights from X-ray Spectroscopy and DFT

Electronic Correlations in Multiferroic Van der Waals CuCrP₂S₆: Insights from X-ray Spectroscopy and DFT

Electronic Correlations in Fe_xNi_yPS₃ Van der Waals Materials: Insights from Angle-Resolved Photoelectron Spectroscopy and DFT