Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations

• Дата: 2014
• Автори: Tkach, Vira, O.Y. Khyzhun, N.M. Denysіuk, Luzhnyi Ivan Vasyliovych
• Формат: Data
• Мова: Англійська
• Опубліковано: DataverseUA 2014
• Теми: Chemistry; Engineering; Physics; X-ray photoelectron spectroscopy (XPS); Semiconductors; Electronic structure; Cs2HgI4; Ternary halide semiconductor; Core-level photoelectron spectra; Valence band density of states; Ion sputtering effect
• Онлайн доступ: https://doi.org/10.48788/DVUA/JSPAOF
• Назва журналу: Open Data Repository of the National Academy of Sciences of Ukraine

Experimental X-ray photoelectron spectroscopy (XPS) dataset collected for a Cs2HgI4 single crystal synthesized via the vertical Bridgman–Stockbarger method. The dataset encompasses wide-range survey energy scans, high-resolution core-level regions (Cs 3d, Hg 4f, and I 3d), as well as low-binding-energy valence-band spectra. Measurements were conducted both on the pristine surface (cleaved in ultra-high vacuum) and following surface bombardment with low-energy Ar+ ions. The deposited files include digitized numerical spectral curves and high-quality vector plots suitable for analyzing chemical states, stoichiometry, and electronic density of states.