Pushing the boundary of the stability and band gap Pareto front by going towards high-entropy perovskites

Zhang, Zhendian [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA]; Fung, Victor [School of Computer Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA] (ORCID:0000000233476983); Hu, Guoxiang [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA] (ORCID:0000000329428564)

doi:10.1039/d4nr05013d

DOE OSTI · 2560942

Pushing the boundary of the stability and band gap Pareto front by going towards high-entropy perovskites

Zhang, Zhendian [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA]·Fung, Victor [School of Computer Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA] (ORCID:0000000233476983)·Hu, Guoxiang [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA] (ORCID:0000000329428564)

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Abstract

Medium/high-entropy vacancy-ordered double perovskites can push the boundary of the stability and band gap Pareto front, exhibiting emerging properties that are not present in their pure counterparts.

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Zhang, Zhendian [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA], Fung, Victor [School of Computer Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA] (ORCID:0000000233476983), Hu, Guoxiang [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA] (ORCID:0000000329428564). 2025-05-09. Pushing the boundary of the stability and band gap Pareto front by going towards high-entropy perovskites. https://doi.org/10.1039/d4nr05013d

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