Interplay between magnetic, electronic, and vibrational effects in monolayer Mn3O4 grown on Pd(100)

Cesare Franchini, Jan Zabloudil, Raimund Podloucky, Francesco Allegretti, Fanghua Li, Svetlozar L. Surnev, Falko P. Netzer (Corresponding author)

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Abstract

The surface stabilized MnO(100)-like monolayer, characterized by a regular c (4×2) distribution of Mn vacancies, is studied by hybrid functionals and discussed in the light of available scanning tunneling microscopy and high-resolution electron energy loss spectroscopy data. We show that the use of hybrid functionals is crucial to account for the intermingled nature of magnetic interactions, electron localization, structural distortions, and surface phonons. The proposed Pd(100) supported Mn3O4 structure is excellently compatible with the experiments previously reported in literature.
Original languageEnglish
Article number124707
Number of pages6
JournalJournal of Chemical Physics
Volume130
Issue number12
DOIs
Publication statusPublished - 2009

Austrian Fields of Science 2012

  • 104017 Physical chemistry
  • 104011 Materials chemistry
  • 103018 Materials physics

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