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Prediction of giant antiferromagnetic coupling in exotic fluorides of Ag II
Author(s) -
Jaroń Tomasz,
Grochala Wojciech
Publication year - 2008
Publication title -
physica status solidi (rrl) – rapid research letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.786
H-Index - 68
eISSN - 1862-6270
pISSN - 1862-6254
DOI - 10.1002/pssr.200701286
Subject(s) - antiferromagnetism , condensed matter physics , copper , superconductivity , density functional theory , coupling constant , coupling (piping) , crystallography , chemistry , materials science , computational chemistry , physics , metallurgy , quantum mechanics
We show, using Density Functional Theory (DFT) calculations, that compressed AgF 2 should turn above 17 GPa into a layered narrow‐gap material with a huge intralayer antiferromagnetic (AFM) coupling constant, reminiscent of those seen for parent copper (II) oxides (e.g., La 2 CuO 4 ). Compressed AgF 2 is thus the first candidate for the non‐oxocuprate two‐dimensional antiferromagnet. Calculations indicate that AgF 2 could subsequently be metallised above 38 GPa, likely giving rise to superconductivity (SC).(© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)