High-throughput inverse design and Bayesian optimization of functionalities: spin splitting in two-dimensional compounds

High-throughput inverse design and Bayesian optimization of functionalities: spin splitting in two-dimensional compounds

Measurement(s) Spin polarized and spin-orbit coupling band structures • Spin-splitting type at the valence and/or conduction bands Technology Type(s) Density functional theory • Bayesian optimization and High-throughput calculations Factor Type(s) Atomic composition and stoichiometry of two-dimensio...

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Bibliographic Details
Main Authors: Gabriel M. Nascimento, Elton Ogoshi, Adalberto Fazzio, Carlos Mera Acosta, Gustavo M. Dalpian
Format: Article
Language:English
Published: Nature Portfolio 2022-04-01
Series:Scientific Data
Online Access:https://doi.org/10.1038/s41597-022-01292-8

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https://doi.org/10.1038/s41597-022-01292-8

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