Abstract

This work was supported by the Generalitat Valenciana through Grant No. PROMETEO2017/139. C.S. gratefully acknowledges financial support from the Dean Fellowship of the Weizmann Institute of Science and Generalitat Valenciana (Grant No. CDEIGENT2018/028). O.T. appreciates the support of the Harold Perlman family, and acknowledges funding by a research grant from Dana and Yossie Hollander, the Israel Science Foundation (Grant No. 1089/15), the Minerva Foundation (Grant No. 120865), and The Ministry of Science and Technology of Israel (Grant No. 3-16244). J.J.P. acknowledges financial support from Spanish MINECO through Grants No. FIS2016-80434-P and No. PID2019-109539GB-C43, the Fundacion Ramon Areces, the Maria de Maeztu Program for Units of Excellence in R&D (Grant No. CEX2018-000805-M), the Comunidad Autonoma de Madrid through the Nanomag COST-CM Program (Grant No. S2018/NMT-4321), the European Union Seventh Framework Programme under Grant Agreement No. 604391 Graphene Flagship, the Centro de Computacion Cientifica of the Universidad Autonoma de Madrid and the computer resources at MareNostrum and the technical support provided by the Barcelona Supercomputing Center (Grant No. FI-2019-2-0007). The SLD and DFT calculations in this paper were performed on the high-performance computing facilities of the University of Alicante and the University of South Africa.

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