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@ARTICLE{Eickhoff:874487,
      author       = {Eickhoff, Fabian and Kolodzeiski, Elena and Esat, Taner and
                      Fournier, Norman and Wagner, Christian and Deilmann,
                      Thorsten and Temirov, Ruslan and Rohlfing, Michael and
                      Tautz, F. Stefan and Anders, Frithjof B.},
      title        = {{I}nelastic electron tunneling spectroscopy for probing
                      strongly correlated many-body systems by scanning tunneling
                      microscopy},
      journal      = {Physical review / B},
      volume       = {101},
      number       = {12},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2020-01466},
      pages        = {125405},
      year         = {2020},
      abstract     = {We present an extension of the tunneling theory for
                      scanning tunneling microscopy (STM) to include different
                      types of electron-vibrational couplings responsible for
                      inelastic contributions to the tunnel current in the
                      strong-coupling limit. It allows for a better understanding
                      of more complex scanning tunneling spectra of molecules on a
                      metallic substrate in separating elastic and inelastic
                      contributions. The starting point is the exact solution of
                      the spectral functions for the electronically active local
                      orbitals in the absence of the STM tip. This includes
                      electron-phonon coupling in the coupled system comprising
                      the molecule and the substrate to arbitrary order including
                      the antiadiabatic strong-coupling regime as well as the
                      Kondo effect on a free-electron spin of the molecule. The
                      tunneling current is derived in second order of the
                      tunneling matrix element which is expanded in powers of the
                      relevant vibrational displacements. We use the results of an
                      ab initio calculation for the single-particle electronic
                      properties as an adapted material-specific input for a
                      numerical renormalization group approach for accurately
                      determining the electronic properties of a
                      1,4,5,8-naphthalene-tetracarboxylic acid dianhydride
                      molecule on Ag(111) as a challenging sample system for our
                      theory. Our analysis shows that the mismatch between the ab
                      initio many-body calculation of the tunnel current in the
                      absence of any electron-phonon coupling to the experimental
                      scanning tunneling spectra can be resolved by including two
                      mechanisms: (i) a strong unconventional Holstein term on the
                      local substrate orbital leads to the reduction of the Kondo
                      temperature and (ii) a further electron-vibrational coupling
                      to the tunneling matrix element is responsible for inelastic
                      steps in the dI/dV curve at finite frequencies},
      cin          = {PGI-3},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-3-20110106},
      pnm          = {141 - Controlling Electron Charge-Based Phenomena
                      (POF3-141)},
      pid          = {G:(DE-HGF)POF3-141},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000518455900003},
      doi          = {10.1103/PhysRevB.101.125405},
      url          = {https://juser.fz-juelich.de/record/874487},
}