Pitfalls on evaluating pair exchange interactions for modelling molecule-based magnetism-Reference-Cited by-同舟云学术

Pitfalls on evaluating pair exchange interactions for modelling molecule-based magnetism

Published:2021 Issue:33 Volume:9 Page:10647-10660
ISSN:2050-7526
Container-title:Journal of Materials Chemistry C
language:en
Short-container-title:J. Mater. Chem. C

Author:

Fumanal Maria¹^ORCID,Jornet-Somoza Joaquim¹²³^ORCID,Vela Sergi¹^ORCID,Novoa Juan J.¹,Ribas-Arino Jordi¹^ORCID,Deumal Mercè¹^ORCID

Affiliation:

1. Dept Ciència de Materials i Química Física and IQTCUB, Facultat de Química, Universitat de Barcelona, Martí i Franquès 1, E-08028 Barcelona, Spain

2. IZO-SGI SGiker, Euskal Herriko Unibertsitatea (UPV/EHU), Joxe Mari Korta Center, Av. Tolosa 72, 20018 Donostia, Euskadi, Spain

3. The Max Planck Institute for the Structure and Dynamics of Matter (MPSD), Bldg. 99 (CFEL) Luruper Chaussee 149, 22761 Hamburg, Germany

Abstract

Human know-how is crucial to cross-examine and challenge computations before trusting any result for modelling magnetic properties in molecule-based materials.

Funder

Departament d'Universitats, Recerca i Societat de la Informació

Ministerio de Economía y Competitividad

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/TC/D1TC01083B

Reference109 articles.

1. Molecular magnetism: from chemical design to spin control in molecules, materials and devices

2. Metal–Organic Framework Magnets

3. Molecular Magnetic Materials: Concepts and Applications , ed. B. Sieklucka and D. Pinkowicz , Wiley-VCH , 2017

4. Magnetic Ordering and Anisotropy in Heavy Atom Radicals

5. Organic- and molecule-based magnets

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