Angewandte Chemie International Edition · 2011 · 17 citations · 31 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureMagnetic MaterialsAntiferromagnetic MaterialsAntiferromagnetismCrystal LatticeExchange InteractionsMagnetic Properties Of SolidsMagnetism In SolidsAntiferromagnetic CouplingAntiferromagnetic ExchangeAntiferromagnetic OrderingSpin ExchangeSpin-lattice Coupling
The two-dimensional antiferromagnet [Cu(HF2)2(pyz)]n (pyz=pyrazine) has a rectangular lattice (see picture) displaying two types of FHF− bridging modes. The spin exchange through Cu-(FHF)2-Cu is about 90 % stronger than through Cu-pyz-Cu, and the μ1,1-coordinated FHF−, which is close in nature to F−⋅⋅⋅HF, is largely responsible for the exchange. C black, Cu red, F green, H cyan. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
31
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17