The coexistence of long τQTM and high Ueff as a concise criterion for a good single-molecule magnet: a theoretical case study of square antiprism dysprosium single-ion magnets-Reference-Cited by-同舟云学术

The coexistence of long τ_QTM and high U_eff as a concise criterion for a good single-molecule magnet: a theoretical case study of square antiprism dysprosium single-ion magnets

Published:2022 Issue:19 Volume:24 Page:11729-11742
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Liu Hong¹,Li Jin-Feng²^ORCID,Yin Bing¹^ORCID

Affiliation:

1. Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education, Lab of Theoretical Molecular Magnetism, College of Chemistry and Materials Science, Northwest University, Xi’an, 710127, P. R. China

2. College of Chemistry and Chemical Engineering, Yan’an University, Yan’an, 716000, P. R. China

Abstract

A systematic ab initio study suggests the co-existence of both long τQTM and high Ueff as a concise criterion for high-performance SMMs.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shaanxi Province

Northwest University

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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