Sparse modeling of chemical bonding in binary compounds.
Journal:
Science and technology of advanced materials
Published Date:
Nov 27, 2019
Abstract
A sparse model for quantifying energy difference between zinc-blende and rock-salt crystal structures in octet elemental and binary materials is constructed by using the linearly independent descriptor-generation method and exhaustive search, following the previous work by Ghiringhelli et al. [Phys Rev Lett. 2015;114:105503]. The obtained simplest model includes only atomic radius information of constituent atoms and its physical meaning is interpreted in relation to van Arkel-Ketelaar's triangle for classifying chemical bonding in binary compounds.
Authors
Keywords
No keywords available for this article.