Sparse modeling of chemical bonding in binary compounds
Source abstract
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.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Machine Learning in Materials Science · X-ray Diffraction in Crystallography · Crystallography and molecular interactions
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Institute of Scientific and Industrial Research, Osaka University, Osaka, Japan
MaDIS-CMI2, National Institute for Materials Science, Tsukuba, Japan
References (30)
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