Abstract
The electronic structure of Tl 5Te 3, TlTe and Tl 2Te 3 is theoretically investigated. We show that the valence band of Tl 5Te 3 is formed by 2 peaks at about 6 eV and 1 eV below the top of the valence band. The peak at 6 eV has a Tl 6 s character and its shape can be explained by the Tl–Tl interactions. The peak at 1 eV has a strong Te 5 p character and is asymmetric because of the Tl–Te bond length distribution. In addition to these 2 peaks the DOS of TlTe and Tl 2Te 3 exhibit a third peak at about 3 eV below the top of the valence band which can be related to the existence of short Te–Te bonds in these 2 compounds. The theoretical results explain the observed main changes in the XPS valence bands for the sequence Tl 5Te 3–TlTe–Tl 2Te 3.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
