Open AccessDesigning a molecular magnetic button based on 4d and 5d transition-metal phthalocyanines
Author(s) -
P. Ferriani,
Stefan Heinze,
V. Bellini
Publication year - 2017
Publication title -
scientific reports
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.24
H-Index - 213
ISSN - 2045-2322
DOI - 10.1038/s41598-017-03920-5
Subject(s) - spintronics , magnetic moment , molecule , substrate (aquarium) , graphene , materials science , chemical physics , phthalocyanine , transition metal , nanotechnology , spin states , ion , magnetic field , chemistry , condensed matter physics , ferromagnetism , inorganic chemistry , physics , biochemistry , oceanography , organic chemistry , quantum mechanics , geology , catalysis
The field of molecular spintronics exploits the properties of organic molecules possessing a magnetic moment, either native in the form of radicals or induced by the insertion of transition metal magnetic ions. To realize logic or storage molecular spin-tronics devices, molecules with stable different magnetic states should be deposited on a substrate, and switching between the states controllably achieved. By means of a first-principles calculations, we have devised a functional molecule exhibiting different magnetic states upon structural changes induced by current injection. We investigate the prototypical case of non-planar M-Phthalocyanine (MPc), where M is a transition-metal ion belonging to the 4 d and 5 d series. We find that for ZrPc and HfPc deposited on a graphene decorated Ni(111) substrate, two different structural conformations could be stabilized, for which the molecules attain different magnetic states depending on the position of the M ion – whether above the Pc or between the Pc and the substrate – , acting therefore as molecular magnetic button. Our work indicates an intuitive way to engineer a magnetic molecular switch with tailored properties, starting from the knowledge of the basic atomic properties of elements and surfaces.