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Angew Chem Int Ed Engl. 2017 Aug 14;56(34):10114-10117. doi: 10.1002/anie.201700932. Epub 2017 May 09.

Prediction of Extremely Strong Antiferromagnetic Superexchange in Silver(II) Fluorides: Challenging the Oxocuprates(II).

Angewandte Chemie (International ed. in English)

Dominik Kurzydłowski, Wojciech Grochala

Affiliations

  1. Center of New Technologies, University of Warsaw, Banacha 2c, 02097, Warsaw, Poland.
  2. Faculty of Mathematics and Natural Sciences, Cardinal Stefan Wyszy?ski University in Warsaw, Wóycickiego 1/3, 01938, Warsaw, Poland.

PMID: 28485841 DOI: 10.1002/anie.201700932

Abstract

Strong magnetic coupling between the spins of unpaired electrons is an essential ingredient of many fascinating physical phenomena. Here we report calculations using the hybrid HSE06 functional of magnetic superexchange constants, J, for a series of low-dimensional Cu

© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords: Jahn-Teller distortions; fluorides; magnetic superexchange; oxides; perovskites

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