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

Autor(en)

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

Abstrakt

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.

Organisation(en)

Computergestützte Materialphysik, Institut für Physikalische Chemie

Externe Organisation(en)

Karl-Franzens-Universität Graz

Journal

Journal of Chemical Physics

Band

130

Anzahl der Seiten

6

ISSN

0021-9606

DOI

https://doi.org/10.1063/1.3097957

Publikationsdatum

2009

Peer-reviewed

Ja

ÖFOS 2012

104017 Physikalische Chemie, 104011 Materialchemie, 103018 Materialphysik

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/1b531944-8f41-4aa7-8425-d932749aa3b2