2003/03/31 by Kyungwha Park, Mark R. Pederson, Steven L. Richardson +3 · 1 citation
Materials Science · Physics and Astronomy · #Magnetism in coordination complexes #Organic and Molecular Conductors Research #Porphyrin and Phthalocyanine Chemistry #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.68.020405
published as Phys. Rev. B, 020405(R) (2003). · 4 pages
arxiv created 2003/03/31 · openalex publication_date 2003/07/28 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
The dimeric form of the single-molecule magnet [Mn4O3Cl4(O2CEt)3(py)3]2 recently revealed interesting phenomena: no quantum tunneling at zero field and tunneling before magnetic-field reversal. This is attributed to substantial antiferromagnetic exchange interaction between different monomers. The intermolecular exchange interaction, electronic structure, and magnetic properties of this molecular magnet are calculated using density-functional theory within generalized-gradient approximation. Calculations are in good agreement with experiment.