Interplay between magnetic, electronic and vibrational effects in monolayer Mn_3O_4 grown on Pd(100)

Details Interplay between magnetic, electronic and vibrational effects in monolayer Mn_3O_4 grown on Pd(100) Interplay between magnetic, electronic and vibrational effects in monolayer Mn_3O_4 grown on Pd(100)

2009-02-11

arxiv.org/abs/0902.1953v1

J. Chem. Phys. 130, 124707 (2009)

Physics

Condensed Matter

Materials Science

16 pages, 5 figures

Scientific paper

10.1063/1.3097957

The surface stabilized MnO(100)-like monolayer, characterised by a regular c(4x2) 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 ineractions, electron localization, structural distortions and surface phonons. The proposed Pd(100) supported Mn3O4 structure is excellently compatible with the experiments previously reported in literature.

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