The electronic structure of the alloyed transition-metal
phosphorus
trichalcogenide van der Waals Fe1–x
Ni
x
PS3 compounds is studied
using X-ray absorption spectroscopy and resonant photoelectron spectroscopy
combined with intensive density functional theory calculations. Our
systematic spectroscopic and theoretical data demonstrate the strong
localization of the Fe- and Ni-ions-derived electronic states that
leads to the description of the spectroscopic data as belonging simultaneously
to Mott–Hubbard and charge-transfer insulators. These findings
reveal Fe1–x
Ni
x
PS3 as unique layered compounds with dual character
of the insulating state, pointing to the importance of these results
for the description and understanding of the functionality of this
class of materials in different applications.
Large-scale high-quality van der Waals CoPS 3 single crystals are synthesized using a chemical vapor transport (CVT) method. The crystallographic structure and electronic properties of this layered material are systematically studied using different spectroscopic methods (XPS, NEXAFS, and resonant photoelectron spectroscopy) accompanied by density functional theory (DFT) calculations. All experimental and theoretical data allow assignment of this material to the class of mixed Mott−Hubbard/charge-transfer insulator with U dd ≅ Δ. All obtained results can enrich the information on the new class of van der Waals materials, transition metal phosphorus trichalcogenides, and help to further effectively exploit their electronic, optical, and transport properties, which are important for adopting this kind of materials into different application areas, such as spintronics and catalysis.
The growth of a high‐quality complete graphene layer is successfully achieved for Ir(111) and Ru(0001) substrates using liquid ethanol as a precursor. Metallic substrates, which are cleaned in ultra‐high vacuum conditions, were ex‐situ immersed in liquid ethanol followed by the controlled in situ thermal annealing. The process of graphene formation and its quality are carefully monitored using X‐ray photoelectron spectroscopy, low‐energy electron diffraction, and scanning tunneling microscopy methods. It is found that graphene formation starts at 400 °C via ethanol decomposition and desorption of oxygen from the surface leading to the formation of the high‐quality complete graphene layer at 1000 °C. The results of the systematic angular‐resolved photoelectron spectroscopy experiments confirm the high quality of the obtained graphene layer, and it concludes that such an approach offers an easy, quick, and reproducible method to synthesize large‐scale graphene on different metallic substrates.
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