Cover Image, Volume 35, Issue 18


Abstract

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The cover shows the crystal structure of monazite-type LnPO4 plotted on top of a scanning electron microscopy (SEM) picture of the surface of such a ceramic. These materials are investigated as potential nuclear waste forms by Ariadna Blanca-Romero, Piotr M. Kowalski, George Beridze, Hartmut Schlenz, and Dirk Bosbach on page 1339 (DOI: 10.1002/jcc.23618). The DFT+U method with PBEsol exchange correlation functional and the Hubbard U parameter derived ab initio, using the linear response approach, results in a superior description of the structure and formation enthalpies of these strongly correlated materials. The SEM image was taken by Yulia Arinicheva at IEK-6, Forschungszentrum Jülich.

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