Single crystal growth, structure and properties of TlHgBr3

• High-quality TlHgBr3 single crystals have been grown by Bridgman–Stockbarger method.
• Electronic structure of TlHgBr3 is studied by XPS and XES methods.
• Br 4p states contribute mainly in the upper portion of the valence band of TlHgBr3.
• TlHgBr3 is a semiconductor with Eg = 2.51 eV at 100 K.
• The Eg value decreases up to 2.44 eV when temperature increases to 300 K.

High-quality inclusion-free single crystals of ternary thallium mercury bromide, TlHgBr3, were successfully grown by Bridgman–Stockbarger method. For the pristine surface of the TlHgBr3 single crystal, X-ray photoelectron core-level and valence-band spectra were measured. The comparison on a common energy scale of the X-ray photoelectron valence-band spectrum of TlHgBr3 and the X-ray emission Br Kβ2 band, representing peculiarities of the energy distribution of the Br 4p states revealed that the main contribution of the valence Br p states, occurred in the upper portion of the valence band, with also their significant contributions in other valence band regions. It has been determined that TlHgBr3 is a semiconductor with the bandgap energy value of Eg = 2.51 eV at 100 K. The Eg value decreased up to 2.44 eV when temperature increased to 300 K.

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