The surface stabilized MnO共100兲-like monolayer, characterized by a regular c共4 ⫻ 2兲 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共100兲 supported Mn 3 O 4 structure is excellently compatible with the experiments previously reported in literature.
Interplay between magnetic, electronic, and vibrational effects in monolayer Mn(3)O(4) grown on Pd(100) / Franchini, C.; Zabloudil, J.; Podloucky, R.; Allegretti, F.; Li, F.; Surnev, S.; Netzer, F. P.. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - ELETTRONICO. - 130:12(2009), pp. 1-7. [12470710.1063/1.3097957]
Interplay between magnetic, electronic, and vibrational effects in monolayer Mn(3)O(4) grown on Pd(100)
Franchini, C.
;
2009
Abstract
The surface stabilized MnO共100兲-like monolayer, characterized by a regular c共4 ⫻ 2兲 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共100兲 supported Mn 3 O 4 structure is excellently compatible with the experiments previously reported in literature.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
