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This study presents a comprehensive analysis of the band structure in NiPS$_3$, a van der Waals layered antiferromagnet, utilizing high-resolution synchrotron-based angle-resolved photoemission spectroscopy (ARPES) and corroborative density functional theory (DFT) calculations. By tuning the parameters of the light source, we obtained a very clear and wide energy range band structure of NiPS$_3$. Comparison with DFT calculations allows for the identification of the orbital character of the observed bands. Our DFT calculations perfectly match the experimental results, and no adaptations were made to the calculations based on the experimental outcomes. The appearance of novel electronic structure upon alkali metal dosing (AMD) were also obtained in this ARPES study. Above valence band maximum, structure of conduction bands and bands from defect states were firstly observed in NiPS$_3$. We provide the direct determination of the band gap of NiPS$_3$ as 1.3 eV from the band structure by AMD. In addition, detailed temperature dependent ARPES spectra were obtained across a range that spans both below and above the N\'eel transition temperature of NiPS$_3$. We found that the paramagnetic and antiferromagnetic states have almost identical spectra, indicating the highly localized nature of Ni $d$ states., Comment: 4 figures

The layered van der Waals trichalcogenide NiPS3 has attracted widespread attention due to its unique optical, magnetic, and electronic properties. The complexity of NiPS3 itself, however, has also led to ongoing debates regarding its characteristics such as the existence of self-doped ligand holes. In this study, X-ray absorption spectroscopy and resonant inelastic X-ray scattering have been applied to investigate the electronic structure of NiPS3. With the aid of theoretical calculations using the charge-transfer multiplet model, we provide experimental evidence for NiPS3 being a Mott-Hubbard insulator rather than a charge-transfer insulator. Moreover, we explain why some previous XAS studies have concluded that NiPS3 is a charge-transfer insulator by comparing surface and bulk sensitive spectra., Comment: 6 figures

Wide bandgap (WBG) semiconductors (Eg >2.0 eV) are integral to the advancement of next generation electronics, optoelectronics, and power industries, owing to their capability for high temperature operation, high breakdown voltage and efficient light emission. Enhanced power efficiency and functional performance can be attained through miniaturization, specifically via the integration of device fabrication into two-dimensional (2D) structure enabled by WBG 2D semiconductors. However, as an essential subgroup of WBG semiconductors, 2D transition metal oxides (TMOs) remain largely underexplored in terms of physical properties and applications in 2D opto-electronic devices, primarily due to the scarcity of sufficiently large 2D crystals. Thus, our goal is to develop synthesis pathways for 2D TMOs possessing large crystal domain (e.g. >10 nm), expanding the 2D TMOs family and providing insights for future engineering of 2D TMOs. Here, we demonstrate the synthesis of WBG 2D nickel oxide (NiO) (Eg > 2.7 eV) thermally converted from 2D nickel hydroxide (Ni(OH)2) with the lateral domain size larger than 10 um. Moreover, the conversion process is investigated using various microscopic techniques such as atomic force microscopy (AFM), Raman spectroscopy, transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS), providing significant insights on the morphology and structure variation under different oxidative conditions. The electronic structure of the converted NixOy is further investigated using multiple soft X-ray spectroscopies, such as X-ray absorption (XAS) and emission spectroscopies (XES).

We employ angle resolved photoemission spectroscopy (ARPES) to investigate the Fermi surface of RuO$_2$. We find a network of two Dirac nodal lines (DNL) as previously predicted in theory, where the valence- and conduction bands touch along continuous lines in momentum space. In addition, we find evidence for a third DNL close to the Fermi level which appears robust despite the presence of significant spin orbit coupling. We demonstrate that the third DNL gives rise to a topologically trivial flat-band surface state (FBSS) at the (110) surface. This FBSS can be tuned by surface doping and presents an interesting playground for the study of surface chemistry and exotic correlation phenomena., Comment: 12 pages, 9 figures

We grew highly textured phase pure VO2 thin films on c-plane Al2O3 substrates with different oxygen partial pressure. X-ray absorption and photoemission spectroscopy confirm the identical valence state of vanadium ions despite the different oxygen pressure during the deposition. As the O2 flow rate increases, the [010] lattice parameter for monoclinic VO2 was reduced and coincidently distinctive changes in the metal- semiconductor transition (MST) and transport behaviors were observed despite the identical valence state of vanadium in these samples. We discuss the effect of the oxygen partial pressure on the monoclinic structure and electronic structure of VO2, and consequently the MST., Comment: 16 pages, 3 figures, 1 table