The role of ligands in controlling the electronic structure and magnetic properties of Mn4 single-molecule magnets

Computational Materials Science

Volumn 44, Issue 1, 2008, Pages 111-116

  Tuan, Nguyen Anh ^a,b   Katayama, Shin ichi ^a   Chi, Dam Hieu ^a,b  

^a JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY   (Japan)

^b VIETNAM NATIONAL UNIVERSITY   (Viet Nam)

Author keywords

First principles calculation; Mn clusters; Molecular design; Nano piezomagnets; Single molecule magnets

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LIGANDS; MAGNETIC MATERIALS; MAGNETIC PROPERTIES; MAGNETS; MANGANESE; MANGANESE ALLOYS; METHANE; MOLECULES; SOLID STATE PHYSICS; STRUCTURAL PROPERTIES;

FIRST-PRINCIPLES CALCULATION; MN CLUSTERS; MOLECULAR DESIGN; NANO-PIEZOMAGNETS; SINGLE-MOLECULE MAGNETS;

MANGANESE COMPOUNDS;

EID: 54049146714     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.01.060     Document Type: Article

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