2024-03-28T10:41:29Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/76942020-05-26T12:19:09Zcom_10261_31com_10261_3col_10261_284
2008-10-14T11:34:44Z
urn:hdl:10261/7694
Understanding magnetic interactions in the series A2FeX5·H2O (A=K, Rb; X=Cl, Br). I. Spin densities by polarized neutron diffraction and DFT calculations
Luzón, Javier
Campo, Javier
Palacio, Fernando
McIntyre, G. J.
Millán, Ángel
The compounds A2FeX5·H2O A=alkali or NH4; X=Cl, Br form a series of collinear antiferromagnets with transition temperatures in the range from 6 to 23 K. These ordering temperatures are much higher than in other hydrated salts of transition-metal ions with similar distances between magnetic ions. Spin-density distributions have been determined in Rb2FeBr5·H2O and K2FeCl5·H2O by means of the polarized-neutron-diffraction technique and ab initio calculations in order to elucidate the mechanism of such enhancement. The results show a large spin-density delocalization toward the ligand atoms, which explains the efficiency of the superexchange pathways in transmitting the magnetic interaction.
2008-10-14T11:34:44Z
2008-10-14T11:34:44Z
2008-08-11T11:34:44Z
artículo
Phys. Rev. B, 78, 054414 (2008)
http://hdl.handle.net/10261/7694
10.1103/PhysRevB.78.054414
eng
openAccess
American Institute of Physics