Recovery of the half-metallicity of an<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Fe</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mtext>O</mml:mtext><mml:mn>4</mml:mn></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mn>100</mml:mn></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>surface by atomic hydrogen adsorption

Kurahashi, Mitsunori; Sun, Xianfeng; Yamauchi, Yasushi

doi:10.1103/physrevb.81.193402

Cited by 54 publications

(50 citation statements)

References 33 publications

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“…Subsequent work has focused on the impact of adsorption on the spin polarization at the (100) surface. A significant increase in spin polarization, from 5% to > 50%, was observed when the surface was treated with atomic hydrogen [97]. (A large increase in the DOS at the E F was also observed in photoemission experiments in this author's group [98], but no spin polarized measurements were made), and similar effects have been reported for benzene [90] and boron [94], while theoretical calculations from this group predict similar behaviour for group IV elements [93].…”

Section: Fe 3 O 4 -Half-metallicitysupporting

confidence: 69%

Iron oxide surfaces

Parkinson

2016

Surface Science Reports

499

463

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The current status of knowledge regarding the surfaces of the iron oxides, magnetite (Fe 3 O 4 ), maghemite (γ-Fe 2 O 3 ), hematite (α-Fe 2 O 3 ), and wüstite (Fe 1-x O) is reviewed. The paper starts with a summary of applications where iron oxide surfaces play a major role, including corrosion, catalysis, spintronics, magnetic nanoparticles (MNPs), biomedicine, photoelectrochemical water splitting and groundwater remediation. The bulk structure and properties are then briefly presented; each compound is based on a close-packed anion lattice, with a different distribution and oxidation state of the Fe cations in interstitial sites. The bulk defect chemistry is dominated by cation vacancies and interstitials (not oxygen vacancies) and this provides the context to understand iron oxide surfaces, which represent the front line in reduction and oxidation processes. The atomic-scale structure of the low-index surfaces of iron oxides is the major focus of this review. Fe 3 O 4 is the most studied iron oxide in surface science, primarily because its stability range corresponds nicely to the ultra-high vacuum environment, and because it is an electrical conductor, which makes it straightforward to study with the most commonly used surface science methods such as photoemission spectroscopies (XPS, UPS) and scanning tunneling microscopy (STM). The impact of the surfaces on the measurement of bulk properties such as magnetism, the Verwey transition and the (predicted) half-metallicity is discussed.The best understood iron oxide surface at present is probably Fe 3 O 4 (100); the structure is known with a high degree of precision and the major defects and properties are well characterised. A major factor in this is that a termination at the Fe oct -O plane can be reproducibly prepared by a variety of methods, as long as the surface is annealed in 10 Such straightforward preparation of a monophase termination is generally not the case for other iron oxide surfaces. All available evidence suggests the oft-studied (√2×√2)R45° reconstruction results from a rearrangement of the cation lattice in the outermost unit cell in which two octahedral cations are replaced by one tetrahedral interstitial, a motif conceptually similar to well-known Koch-Cohen defects in Fe (0001) is the most studied hematite surface, but 2 difficulties preparing stoichiometric surfaces under UHV conditions have hampered a definitive determination of the structure. There is evidence for at least three terminations: a bulk-like termination at the oxygen plane, a termination with half of the cation layer, and a termination with ferryl groups. When the surface is reduced the so-called "bi-phase" structure is formed, which eventually transforms to a Fe 3 O 4 (111)-like termination. The structure of the bi-phase surface is controversial; a largely accepted model of coexisting Fe 1-x O and α-Fe 2 O 3 (0001) islands was recently challenged and a new structure based on a thin film of Fe 3 O 4 (111) on α-Fe 2 O 3 (0001) was proposed. The merits of the compet...

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Section: Fe 3 O 4 -Half-metallicitysupporting

confidence: 69%

Iron oxide surfaces

Parkinson

2016

Surface Science Reports

499

463

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“…3(a), however LEED observations and DFT studies of a hydrogen-adsorbed Fe 3 O 4 (001) surface have revealed that the surface exhibits (1 × 1) symmetry same as bulk [9,[11][12][13].…”

Section: Resultsmentioning

confidence: 99%

“…The electronic and electron spin states for surface Fe cations differ from ones for bulk Fe cations since there is no Fe atoms to be bonded above the surface Fe cations. In fact, theoretical and experimental electron spin polarization measurements of a clean Fe 3 O 4 (001) surface have shown much lower values than expected [5][6][7][8][9][10][11][12].…”

Section: Introductionmentioning

confidence: 85%

“…Recently, the studies on modification of the surface electronic and electron spin states by introducing adsorbates on it [9][10][11][12][13][14][15][16][17][18] have been attracted attention, because the method offers us a way to enhance the surface electron spin polarization. It is also applicable to improve unexpected properties of a clean Fe 3 O 4 (001) surface.…”

Section: Introductionmentioning

confidence: 99%

“…In particular, hydrogen has been extensively studied as such an adsorbate from theoretical and experimental point of views [9][10][11][12][13][14]17]. Their studies showed that hydrogen adsorbates on a clean Fe 3 O 4 (001) surface enhance the surface electron spin polarization at the Fermi level from experimental values of less than −5% in a clean Fe 3 O 4 (001) surface [9,10,12] to theoretically almost −100% [10][11][12][13] or experimentally at least −50% at room temperature [9,10,12]. Even so, the detailed mechanism for its enhancement and the reason why the experimental values are much lower than the theoretical ones remain at issue.…”

Section: Introductionmentioning

confidence: 99%

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Scanning Tunneling Microscopy Study of an Altered Fe<sub>3</sub>O<sub>4</sub>(001) Thin Films Surface by Hydrogen Adsorption

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We report on changes of surface structures induced by hydrogen adsorption on a Jahn-Teller distorted magnetite (Fe3O4)(001) surface and priorities of hydrogen-adsorbed sites by means of in-situ scanning tunneling microscopy. The experiments have revealed that surface Fe cations relax toward the bulk-terminated positions by OH species formed between adsorbed-hydrogen and surface ON anion (The labeled "N"in ON denotes that the O-O distance in the surface is compressed compared with bulk). Moreover, two types of surface ON sites were found to be almost equivalent for hydrogen adsorption.

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Recovery of the half-metallicity of anFe3O4(100)surface by atomic hydrogen adsorption

Cited by 54 publications

References 33 publications

Iron oxide surfaces

Iron oxide surfaces

Scanning Tunneling Microscopy Study of an Altered Fe<sub>3</sub>O<sub>4</sub>(001) Thin Films Surface by Hydrogen Adsorption

High Coverage CO Adsorption on Fe6O6 Cluster Using GGA + U

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