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

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-ene...

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Bibliographic Details
Date:2014
Main Authors: Tkach, Vira, O.Y. Khyzhun, N.M. Denysіuk, Luzhnyi Ivan Vasyliovych
Format: Data
Language:English
Published: DataverseUA 2014
Subjects:
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
Online Access:https://doi.org/10.48788/DVUA/JSPAOF
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Journal Title:Open Data Repository of the National Academy of Sciences of Ukraine

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Open Data Repository of the National Academy of Sciences of Ukraine
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Summary: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.

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