What is it about?
The electronic band structure and charge density distribution are theoretically studied in trigonal Se and Te to clear up types of chemical bonding in their crystals and to reconsider the role of valence s- and p-electrons in bonding.
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Why is it important?
Knowledge of correct electronic band structure of trigonal Se and Te is important for understanding the origine of their useful properties, which are in demand in various applications. It is important also from the scientific point of view for description of a number of new phenomena, such as kinetic magnetoelectric effect in bulk nonmagnetic Te.
Perspectives
Besides most stable trigonal phase of Se and Te, there are a large number of molecular crystals of chalcogenes, such as rhombohedral Se and S, monoclinic Se, orthorhombic S, and so on. It will be interesting to calculate their electronic band structure, analyze the charge density distribution and compare with those obtained in this paper.
Doctor of Science Valery Orlov
National Research Center Kurchatov Institute
Read the Original
This page is a summary of: Electronic band structure and chemical bonding in trigonal Se and Te, AIP Advances, May 2022, American Institute of Physics,
DOI: 10.1063/5.0087880.
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