Adsorption of 3d, 4d, and 5d transition metal atoms on β -Borophene.

J Phys Condens Matter

Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-170, Santo André, São Paulo, Brazil.

Published: August 2017

We perform an ab initio study of the electronic structure and magnetic properties of 3d, 4d and 5d transition metals (TM) adsorbed on freestanding and Ag(1 1 1)-supported [Formula: see text]-borophene. The stability of TM adsorption is high for all atoms and increases with the period. For the 3d TM adsorption we observed strong exchange effects. The Ag(1 1 1)-surface induced small effects on the calculated properties. Studying the magnetic interaction between TMs, VIB atoms showed direct exchange, while VIIB and Fe showed 2p(B)-mediated indirect exchange. In the ultimate case of a one-dimensional TM array, Ru and Os also show direct exchange effects.

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http://dx.doi.org/10.1088/1361-648X/aa75f0DOI Listing

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