2023
DOI: 10.1021/acs.chemmater.3c01323
|View full text |Cite
|
Sign up to set email alerts
|

Screening New Quaternary Semiconductor Heusler Compounds By Machine-Learning Methods

Runan Xie,
Jean-Claude Crivello,
Céline Barreteau

Abstract: The following work presents a theoretical workflow to accelerate the discovery of new quaternary Heusler compounds for thermoelectric applications. The process consists of several steps: (i) construction of a consistent home-made DFT learning database with a limited set of compounds mainly involving unary, binary, and ternary configurations; (ii) machine-learning regression to estimate the heat of formation for all possible arrangements of atoms in the 4 crystallographic sites of the Heusler phase; (iii) class… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

0
0
0

Publication Types

Select...

Relationship

0
0

Authors

Journals

citations
Cited by 0 publications
references
References 34 publications
0
0
0
Order By: Relevance

No citations

Set email alert for when this publication receives citations?