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20102023
most citedThe hiphive package for the extraction of high-order force constants by machine learning

477 citations · 4.6k across the 66 of their papers we have counts for

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cond-mat.mtrl-sci2015★ 35 cited

A first-principles study of co-doping in lanthanum bromide

Paul Erhart, Babak Sadigh, André Schleife +1

Co-doping of Ce-doped LaBr with Ba, Ca, or Sr improves the energy resolution that can be achieved by radiation detectors based on these materials. Here, we present a mechanism…

cond-mat.mtrl-sci2015★ 43 cited

Implications of the band gap problem on oxidation and hydration in acceptor-doped barium zirconate

Anders Lindman, Paul Erhart, Göran Wahnström

Charge carrier concentrations in acceptor-doped proton-conducting perovskites are to a large extent determined by the hydration and oxidation of oxygen vacancies, which introduce p…