% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Chiesa:885419,
      author       = {Chiesa, A. and Macaluso, E. and Santini, P. and Carretta,
                      S. and Pavarini, E.},
      title        = {{F}irst-principles many-body models for electron transport
                      through molecular nanomagnets},
      journal      = {Physical review / B},
      volume       = {99},
      number       = {23},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2020-03816},
      pages        = {235145},
      year         = {2019},
      abstract     = {Impressive advances in the field of molecular spintronics
                      allow one to study electron transport through individual
                      magnetic molecules embedded between metallic leads in the
                      purely quantum regime of single electron tunneling. Besides
                      fundamental interest, this experimental setup, in which a
                      single molecule is manipulated by electronic means, provides
                      the elementary units of possible forthcoming technological
                      applications, ranging from spin valves to transistors and
                      qubits for quantum information processing. Theoretically,
                      while for weakly correlated molecular junctions established
                      first-principles techniques do enable the system-specific
                      description of transport phenomena, methods of similar power
                      and flexibility are still lacking for junctions involving
                      strongly correlated molecular nanomagnets. Here we propose
                      an efficient scheme based on the ab initio construction of
                      material-specific Hubbard models and on the master-equation
                      formalism. We apply this approach to a representative case,
                      the {$Ni_2$} molecular spin dimer, in the regime of weak
                      molecule-electrode coupling, the one relevant for
                      quantum-information applications. Our approach allows us to
                      study in a realistic setting many-body effects such as
                      current suppression and negative differential conductance.
                      We think that this method has the potential for becoming a
                      very useful tool for describing transport phenomena in
                      strongly correlated molecules.},
      ddc          = {530},
      pnm          = {Spin-orbital order-disorder transitions in strongly
                      correlated systems $(jiff46_20161101)$},
      pid          = {$G:(DE-Juel1)jiff46_20161101$},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1103/PhysRevB.99.235145},
      url          = {https://juser.fz-juelich.de/record/885419},
}