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

doi:10.1063/1.3097957

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)

Publications: Contribution to journal › Article › Peer Reviewed

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 language	English
Article number	124707
Number of pages	6
Journal	Journal of Chemical Physics
Volume	130
Issue number	12
DOIs	https://doi.org/10.1063/1.3097957
Publication status	Published - 2009

Austrian Fields of Science 2012

104017 Physical chemistry
104011 Materials chemistry
103018 Materials physics

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10.1063/1.3097957

http://arxiv.org/abs/0902.1953

Cite this

@article{1b5319448f414aa78425d932749aa3b2,

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

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.",

author = "Cesare Franchini and Jan Zabloudil and Raimund Podloucky and Francesco Allegretti and Fanghua Li and Surnev, {Svetlozar L.} and Netzer, {Falko P.}",

note = "Article number 124707 Franchini, C.a b , Zabloudil, J.b c , Podloucky, R.b c , Allegretti, F.d , Li, F.d , Surnev, S.d , Netzer, F.P.d a Faculty of Physics, Universit{\"a}t Wien, A-1090 Wien, Austria b Center for Computational Materials Science, Gumpendorferstrae 1A, 1060 Vienna, Austria c Institut f{\"u}r Physikalische Chemie, Universit{\"a}t Wien, A-1090 Wien, Austria d Institute of Physics, Surface and Interface Physics, Karl-Franzens University Graz, A-8010 Graz, Austria",

year = "2009",

doi = "10.1063/1.3097957",

language = "English",

volume = "130",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "12",

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TY - JOUR

T1 - Interplay between magnetic, electronic, and vibrational effects in monolayer Mn3O4 grown on Pd(100)

AU - Franchini, Cesare

AU - Zabloudil, Jan

AU - Podloucky, Raimund

AU - Allegretti, Francesco

AU - Li, Fanghua

AU - Surnev, Svetlozar L.

AU - Netzer, Falko P.

N1 - Article number 124707 Franchini, C.a b , Zabloudil, J.b c , Podloucky, R.b c , Allegretti, F.d , Li, F.d , Surnev, S.d , Netzer, F.P.d a Faculty of Physics, Universität Wien, A-1090 Wien, Austria b Center for Computational Materials Science, Gumpendorferstrae 1A, 1060 Vienna, Austria c Institut für Physikalische Chemie, Universität Wien, A-1090 Wien, Austria d Institute of Physics, Surface and Interface Physics, Karl-Franzens University Graz, A-8010 Graz, Austria

PY - 2009

Y1 - 2009

N2 - 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.

AB - 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.

U2 - 10.1063/1.3097957

DO - 10.1063/1.3097957

M3 - Article

SN - 0021-9606

VL - 130

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 12

M1 - 124707

ER -