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

Abstract

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.

16 pages, 5 figures

References in corpus (3)

• Two-dimensional manganese oxide nanolayers on Pd(100): Surface phase diagram
• Structural and vibrational properties of two-dimensional $\mathrm{M}{\mathrm{n}}_{\mathrm{x}}{\mathrm{O}}_{\mathrm{y}}$ nanolayers on Pd(100)
• Tight-Binding Theory of Manganese and Iron Oxides

Cited by in corpus (4)

• Screened hybrid functional applied to 3d^0-->3d^8 transition-metal perovskites LaMO3 (M=Sc-Cu): influence of the exchange mixing parameter on the structural, electronic and magnetic properties
• Application of screened hybrid functionals to the bulk transition metals Rh, Pd, and Pt
• Strain and structure driven complex magnetic ordering of a CoO overlayer on Ir(100)
• Thickness dependent structural and electronic properties of CuO adsorbed on SrTiO3(100): a hybrid density functional theory study