Is it possible to get high T(C) magnets with Prussian blue analogues? A theoretical prospect.
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.
Ruiz
Eliseo
E
Departament de Química Inorgànica and Centre Especial de Recerca en Química Teòrica (CeRQT), Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Spain. eliseo.ruiz@qi.ub.es
Rodríguez-Fortea
Antonio
A
Alvarez
Santiago
S
Verdaguer
Michel
M