The adsorption geometry of the (2 × 1)-2O oxygen phase formed on the Co(101̄0) surface

Gierer, M.; Over, Herbert; Rech, P.; Schwarz, E.; Christmann, K.

doi:10.1016/s0039-6028(96)01202-2

Cited by 29 publications

(15 citation statements)

References 21 publications

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“…4 [35][36][37][38]. Our total-energy calculations suggest both adsorbed O and Mg favor the fcc hollow sites on the Co surface, which is consistent with low-energy electron diffraction (LEED) studies [39,40] and DFT calculations [41,42]. Table II summarizes the change in PMA can be understood from the second order perturbation theory, in which Ks is expressed as [47,48]:…”

Section: B Oxygen Exposure and Mg Dusting Effect On Magnetic Anisotropysupporting

confidence: 76%

Unveiling the role of Co-O-Mg bond in magnetic anisotropy of Pt/Co/MgO using atomically controlled deposition and in situ electrical measurement

Yang

Yuan

et al. 2017

Phys. Rev. B

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Despite the crucial role of interfacial perpendicular magnetic anisotropy in Co(Fe)/MgO based magnetic tunnel junction, the underlying mechanism is still being debated. Here, we report an anatomical study of oxygen and Mg effect on Pt/Co bilayers through repeated in-situ anomalous Hall effect measurements, controlled oxygen exposure and Mg deposition in an ultrahigh vacuum system. We found that chemisorbed oxygen not only quenches the effective magnetic moment of the Co surface layer, but also softens its magnetic anisotropy. However, a subsequent Mg dusting on the oxygen pre-exposed Pt/Co surface can recover the magnetic anisotropy. The ab initio calculations on the exchange splitting and

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Section: B Oxygen Exposure and Mg Dusting Effect On Magnetic Anisotropysupporting

confidence: 76%

Unveiling the role of Co-O-Mg bond in magnetic anisotropy of Pt/Co/MgO using atomically controlled deposition and in situ electrical measurement

Yang

Yuan

et al. 2017

Phys. Rev. B

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“…LEED calculations [185] suggested that in the final (2Â1)p2mg-2O phase, oxygen occupies the threefold-coordinated fcc(111) facet site and bonds to two Co or Ru atoms in the first atomic layer and one Co or Ru atom in the second, this being the same as that occurring at the O-(Rh, Pd)(110) surface. Oxygen adsorbate rests above the top layer of the otherwise unreconstructed surface.…”

Section: Discussionmentioning

confidence: 95%

“…The model proposed for this phase interlocks the model for the c(2Â4)-4O phase with oxygen preferring the hcp(0001) facet site. However, LEED studies by Gierer et al [185] have ruled out the hcp(0001) facet site preference of the adsorbate. It is suggested that the adsorbate atoms are located above the fcc(111) facet site instead, agreeing with the model proposed by Comelli et al [180] for the O-(Rh, Pd)(110) surfaces.…”

Section: Discussionmentioning

confidence: 99%

Oxidation electronics: bond–band–barrier correlation and its applications

Sun

2003

Progress in Materials Science

215

167

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“…16. The surface free energy ␥ as function of the number of layers ͑or slab thickness͒ for O / Re͑1010͒-͑1 ϫ 1͒ with 1.00 GML coverage.…”

Section: Re(1010)mentioning

confidence: 99%

“…They found that the clean surface shows an unreconstructed structure exhibiting a ͑1 ϫ 1͒ periodicity, 12,13 which is in line with the behavior observed on ͑1010͒ surfaces of other 3d and 4d hcp metals. 11,16 Also using LEED, Zehner et al 14 found the existence of ͑1011͒ facets after exposing the surface to oxygen at pressures of 1.3ϫ 10 −7 atm or higher and a temperature of T ϳ 888 K. By heating to 1298 K these facets disappeared and a ͑1 ϫ 3͒-O overlayer formed on the initial ͑1010͒ surface. Whether this resembled the periodicity of the surface structure or of an oxygen adlayer remained unclear.…”

Section: Introductionmentioning

confidence: 99%

Oxygen-induced reconstruction ofRe(101¯0)studied by density functional theory

Kaghazchi

Jacob

2010

Phys. Rev. B

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Using density functional theory in combination with the ab initio atomistic thermodynamics approach, we studied the structure and stability of Re͑1010͒ surfaces in contact with an oxygen atmosphere. The calculations indicate that without adsorption of oxygen, the surface is unreconstructed, but adsorption of more than 2 geometrical monolayers causes a ͑1 ϫ 3͒ reconstruction, resembling a surface being composed of ͕1011͖ microfacets. This structure is able to rationalize the different experimental observations obtained on Re͑1010͒ and will be of relevance for catalytic reactions under oxygen-rich conditions. In this work, density functional theory is used in conjunction with the ab initio atomistic thermodynamics approach 17-20 to evaluate the ͑p , T͒-dependent surface free energies from first principles. A. DFT calculationsDFT energies for different oxygen overlayers on the surfaces were evaluated using the CASTEP code 21 with Vanderbilt-type ultrasoft pseudopotentials ͑PPs͒ ͑Ref. 22͒

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The adsorption geometry of the (2 × 1)-2O oxygen phase formed on the Co(101̄0) surface

Cited by 29 publications

References 21 publications

Unveiling the role of Co-O-Mg bond in magnetic anisotropy of Pt/Co/MgO using atomically controlled deposition and in situ electrical measurement

Unveiling the role of Co-O-Mg bond in magnetic anisotropy of Pt/Co/MgO using atomically controlled deposition and in situ electrical measurement

Oxidation electronics: bond–band–barrier correlation and its applications

Oxygen-induced reconstruction ofRe(101¯0)studied by density functional theory

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