"S" . . "Probing the surface phase diagram of Fe3O4(001) towards the Fe-rich limit: Evidence for progressive reduction of the surface"@en . "99683" . "8"^^ . "7"^^ . "\u00C9des, Zolt\u00E1n" . "Schmid, Michael" . "PHYSICAL REVIEW B" . "\u00C9des, Zolt\u00E1n" . . "RIV/00216305:26620/13:PU103669" . "Parkinson, Gareth S." . . "[3ACCF5AD09D0]" . . . . "26620" . "Reduced terminations of the Fe3O4(001) surface were studied using scanning tunneling microscopy, x-ray photoelectron spectroscopy (XPS), and density functional theory (DFT). Fe atoms, deposited onto the thermodynamically stable, distorted B-layer termination at room temperature (RT), occupy one of two available tetrahedrally coordinated sites per unit cell. Further RT deposition results in Fe clusters. With mild annealing, a second Fe adatom per unit cell is accommodated, though not in the second tetrahedral site. Rather both Fe atoms reside in octahedral coordinated sites, leading to a Fe-dimer termination. At four additional Fe atoms per unit cell, all surface octahedral sites are occupied, resulting in a FeO(001)-like phase. The observed configurations are consistent with the calculated surface phase diagram. Both XPS and DFT+U results indicate a progressive reduction of surface iron from Fe3+ to Fe2+ upon Fe deposition. The antiferromagnetic FeO layer on top of ferromagnetic Fe3O4(001) suggests p" . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . "RIV/00216305:26620/13:PU103669!RIV14-MSM-26620___" . . "Reduced terminations of the Fe3O4(001) surface were studied using scanning tunneling microscopy, x-ray photoelectron spectroscopy (XPS), and density functional theory (DFT). Fe atoms, deposited onto the thermodynamically stable, distorted B-layer termination at room temperature (RT), occupy one of two available tetrahedrally coordinated sites per unit cell. Further RT deposition results in Fe clusters. With mild annealing, a second Fe adatom per unit cell is accommodated, though not in the second tetrahedral site. Rather both Fe atoms reside in octahedral coordinated sites, leading to a Fe-dimer termination. At four additional Fe atoms per unit cell, all surface octahedral sites are occupied, resulting in a FeO(001)-like phase. The observed configurations are consistent with the calculated surface phase diagram. Both XPS and DFT+U results indicate a progressive reduction of surface iron from Fe3+ to Fe2+ upon Fe deposition. The antiferromagnetic FeO layer on top of ferromagnetic Fe3O4(001) suggests p"@en . "Mulakaluri, Narasimham" . "Oxide surfaces, Iron Oxides, STM, DFT, XPS"@en . . . "Probing the surface phase diagram of Fe3O4(001) towards the Fe-rich limit: Evidence for progressive reduction of the surface" . "Diebold, Ulrike" . "1098-0121" . . . . . "Novotn\u00FD, Zbyn\u011Bk" . "Pentcheva, Rossitza" . "1"^^ . "Probing the surface phase diagram of Fe3O4(001) towards the Fe-rich limit: Evidence for progressive reduction of the surface"@en . "19" . . . "Probing the surface phase diagram of Fe3O4(001) towards the Fe-rich limit: Evidence for progressive reduction of the surface" . "87" . .