Affiliation:
1. National Academy of Sciences of Ukraine
Abstract
We report on experimental and theoretical studies of the electronic structure of ternary Tl4CdI6 alloy. Our XPS results indicate low hygroscopicity of its surface. The first-principle calculations indicate that the valence-band region of Tl4CdI6 is dominated by contributions of I 5p states (mainly at the top and the central portion), while its bottom is prevailed by contributions of Tl 6s states. The theoretical data indicate that the Tl4CdI6 compound is a direct gap semiconductor with the band gap value of Eg = 2.03 eV. The calculations reveal that the significant covalent component (in addition to ionic component) is characteristic for the chemical Tl–I and Cd–I bonds of Tl4CdI6.
Publisher
Trans Tech Publications, Ltd.
Subject
Condensed Matter Physics,General Materials Science,Atomic and Molecular Physics, and Optics