Synchrotron-radiation photoemission study of Ba on a<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">Si</mml:mi><mml:mn /><mml:mo>(</mml:mo><mml:mn>001</mml:mn><mml:mo>)</mml:mo><mml:mn>2</mml:mn><mml:mo>×</mml:mo><mml:mn>1</mml:mn></mml:math>surface

Cheng, Chia-Ming; Hong, Ie-Hong; Pi, Tun‐Wen

doi:10.1103/physrevb.58.4066

Cited by 37 publications

(17 citation statements)

References 27 publications

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“…This confirms and explains the core-level shift experimental results of Cheng et al, 3 who find a small or zero charge transfer at low coverage, in contrast with the ionic character of the metal silicides obtained at higher coverage ͑above 1 monolayer͒. This result is also consistent with the STM experiments, 8 which indicate only a partial charge transfer from Ba to the surface, as shown in our calculations.…”

supporting

confidence: 93%

Bonding and diffusion of Ba on a Si(001) reconstructed surface

Wang¹,

Hallmark²,

Marshall³

et al. 1999

Phys. Rev. B

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Bonding and diffusion of a Ba adatom on a Si͑001͒ surface have been studied using first-principles densityfunctional calculations. It is found that the favorable bonding site of the adatom is the fourfold site located in the trough between Si dimer rows. The bonding between Ba adatom and the surface is shown to be only slightly ionic in character, with a small charge transfer from Ba to the substrate, and with an important covalent component. The calculated jumping rates show a strongly anisotropic diffusivity of Ba on the surface.

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supporting

confidence: 93%

Bonding and diffusion of Ba on a Si(001) reconstructed surface

Wang¹,

Hallmark²,

Marshall³

et al. 1999

Phys. Rev. B

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“…The bonding was shown to be strongly covalent, in contrast to what would be expected from the large electronegativity difference between Si and Ba. Only a small charge transfer of 0.15e was obtained, which explains the core level shifts experimental results of Cheng et al [75] The problem of the diffusion of Ba on the Si(001) surface was also addressed in view of the energetics results obtained in this work. It was found that diffusion is much more likely (seven orders of magnitude) to occur in the direction of the dimer rows than perpendicular to it.…”

Section: Absorption and Growth Of Ba On Si(001)supporting

confidence: 62%

Linear Scaling ab initio Calculations in Nanoscale Materials with SIESTA

Ordejón

2000

phys. stat. sol. (b)

111

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“…The origin of these minor features was discussed earlier. 37,38 Since their introducing did not affect on the other fitting parameters practically, we do not consider the loss features hereafter.…”

Section: Si 2p Core Levelmentioning

confidence: 99%

Atomic geometry and electronic structure of theSi(100)2×3-Eu surface phase

et al. 2005

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The structural and electronic properties of the Eu-induced 2 ϫ 3 reconstruction on Si͑100͒ have been investigated by scanning tunneling microscopy ͑STM͒, scanning tunneling spectroscopy ͑STS͒, and high-resolution Si 2p core-level spectroscopy using synchrotron radiation. STM images of this reconstruction are found to be drastically dependent on the bias voltage and tunneling current. STS measurements show that the 2 ϫ 3-Eu surface is semiconducting. Two occupied states at −0.9 and −1.75 V and three unoccupied states at +0.35, +0.8, and +1.5 V are identified in the ͑dI / dV͒ / ͑I / V͒ spectrum of this surface. The Si 2p core-level spectra taken at various photon energies and emission angles are revealed to include four surface-related components S1−S4 with core-level shifts of −0.54, −0.24, +0.21, and +0.51 eV, respectively. The S1, S2, and S4 components are assigned to first-layer Si atoms in the 2 ϫ 3-Eu structure and the S3 component is shown to arise from the second-layer Si atoms. The results are discussed in the context of structural models reported recently for other metal-induced Si͑100͒2 ϫ 3 reconstructions. Finally, an atomic model is proposed for the 2 ϫ 3-Eu phase.

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Synchrotron-radiation photoemission study of Ba on aSi(001)2×1surface

Cited by 37 publications

References 27 publications

Bonding and diffusion of Ba on a Si(001) reconstructed surface

Bonding and diffusion of Ba on a Si(001) reconstructed surface

Linear Scaling ab initio Calculations in Nanoscale Materials with SIESTA

Atomic geometry and electronic structure of theSi(100)2×3-Eu surface phase

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