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Is It Possible To Get High T C Magnets with Prussian Blue Analogues? A Theoretical Prospect
Author(s) -
Ruiz Eliseo,
RodríguezFortea Antonio,
Alvarez Santiago,
Verdaguer Michel
Publication year - 2005
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200400821
Subject(s) - prussian blue , magnet , coupling (piping) , density functional theory , curie temperature , curie , condensed matter physics , materials science , ferromagnetism , chemistry , computational chemistry , physics , quantum mechanics , metallurgy , electrode , electrochemistry
Theoretical methods based on density functional theory have been employed to search for Prussian blue analogues with Curie temperatures higher than the ones reached today. Our study suggests several possible cyano‐bridged compounds as candidates to present stronger exchange coupling and higher ordering temperatures than the well known Cr III V II derivatives.