Study of the effects of an adatom Sn on the Cu surface electromigration using a first principles method

Yu, Chun; Liu, Junyan; Lü, Hao; Chen, Junmei

doi:10.1016/j.apsusc.2007.04.052

Cited by 9 publications

(8 citation statements)

References 41 publications

(41 reference statements)

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“…On the clean Cu(111) surface, the Cu adatom diffuses with a small energy barrier of 0.068 eV, in good agreement with a previous theoretical value of 0.07 eV. 38 By coating the Cu(111) surface with graphene or h-BN layers, the diffuse energy barrier of Cu adatoms increases about 2-3 times, compared with that on the clean Cu(111) surface. These results indicate that graphene or h-BN coating layers inhibit the movement of Cu adatoms on Cu surfaces.…”

Section: Suppression Of Conductivity Deterioration Of Copper Thin Filsupporting

confidence: 89%

Suppression of conductivity deterioration of copper thin films by coating with atomic-layer materials

Cuong

Okada

2017

Applied Physics Letters

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Theoretical calculations are performed to explore the electronic structures and electron conducting properties of copper (Cu) thin films coated with graphene or h-boron-nitride (h-BN) layers. The Shockley surface states of Cu surfaces are preserved by the graphene and h-BN coatings which prevent the surface oxidation of Cu because of the weak interaction between the Cu surface and graphene or the h-BN layers. Furthermore, the Shockley surface states in Cu thin films possess quasi-two dimensional free-electron characteristics and exhibit a high conductivity of 1.62 × 107 (Ωm)−1 at room temperature. These hybrid structures may be suitable as interconnects in memory devices that can stably store data for long periods.

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Section: Suppression Of Conductivity Deterioration Of Copper Thin Filsupporting

confidence: 89%

Suppression of conductivity deterioration of copper thin films by coating with atomic-layer materials

Cuong

Okada

2017

Applied Physics Letters

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“…6. Our result indicates that the Sn atom adsorbs on 20 Their result shows that the H 1 site is the most energetically favorable. Despite the H 2 site being less energetically favorable, the difference of adsorption energies between the two sites is only 28 meV.…”

Section: The Lc Phasementioning

confidence: 56%

“…The preceding calculation predicted that adsorption of the Sn atom on Cu(111) favors the H 1 site over the H 2 site, but the energy difference between the two is small (28 meV). 20 As mentioned previously, the Sn atom is roughly 10% larger than the Cu atom. When the Sn coverage increases, the Sn atoms likely approach so near each other that the interaction between these Sn atoms makes it energetically unfavored for both Sn atoms to occupy the H 1 sites in each unit cell.…”

Section: The Hc Phasementioning

confidence: 68%

“…A question arises why, as there are several H 1 sites available in each unit cell, both Sn atoms do not occupy these H 1 sites, which seem the most energetically favored theoretically. 20 There are five H 1 sites and five H 2 sites in each unit cell of the (2113) structure. Figure 6 shows one unit cell of the (2113) structure on Cu(111), indicated with dashed lines, with one Sn atom already occupying the H 1 site.…”

Section: The Hc Phasementioning

confidence: 99%

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Nonalloying surface reconstructions of ultrathin Sn films on Cu(111) investigated with LEED, XPS, and photoelectron extended fine structure analysis

et al. 2011

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By preventing surface alloying during growth of Sn on Cu(111) at 100 K, we discovered two novel nonalloying surface reconstructions, denoted as lower-coverage (LC) and higher-coverage (HC) phases. They were investigated with low energy electron diffraction (LEED), x-ray photoemission spectroscopy (XPS), and analysis of photoelectron extended fine structure (PEFS). The LC phase has a p(2 × 2) structure with one Sn atom per unit cell, corresponding to a Sn coverage 0.25 ML; the HC phase has a structure of M = ( 2 1 1 3 ) (matrix notation) with two Sn atoms per unit cell, corresponding to a Sn coverage 0.40 ML. Structural models for the two phases are proposed.

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“…The structure determines the property, and the surface structure affects the process of surface adsorption and dissociation. The vacancy, substitution, doping, and defect are all typical types of surface structure, in which the surface‐doped elements are an important dissociated affecting factor because they could penetrate the substrate actively, change the surface activity, and affect the binding of adsorbate on the surface 11–13 . From this point of view, it can be considered that the dissociation of O 2 can be steered by the surface structure 14 .…”

Section: Introductionmentioning

confidence: 99%

O₂ dissociative adsorption on the Cu‐, Ag‐, and W‐doped Al(111) surfaces from DFT computation

Qiao

Zhang

et al. 2020

Surface & Interface Analysis

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The O2 adsorption and dissociation on M‐doped (M = Cu, Ag, W) Al(111) surface were studied by density functional theory. The adsorption energy of adsorbate, the average binding energy and surface energy of Al surface, and the doping energy of doping atom were calculated. All the doped atoms can be stably combined with Al atoms, while being slightly embedded in the surface to a certain depth. The TOP‐type surfaces are the most stable doped surfaces for O2 adsorption, which is related to the orbital hybridization between the adsorbate and the surface atoms, the electronegativity, and the orbital energy level of the doping atoms. Moreover, the O atoms and doping atoms contribute significantly to the density of states (DOS), especially the O‐p orbital electrons and the d orbital electrons of doping atoms. The degree of O2 dissociation is related to the doping atoms on Al surfaces, and the doping atoms actually resist the dissociation of O2. W atoms have the best resistance effect on the O2 dissociation as compared with Cu and Ag atoms, especially W‐1NN surface, which has both large barrier energy and reaction energy.

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Study of the effects of an adatom Sn on the Cu surface electromigration using a first principles method

Cited by 9 publications

References 41 publications

Suppression of conductivity deterioration of copper thin films by coating with atomic-layer materials

Suppression of conductivity deterioration of copper thin films by coating with atomic-layer materials

Nonalloying surface reconstructions of ultrathin Sn films on Cu(111) investigated with LEED, XPS, and photoelectron extended fine structure analysis

O₂ dissociative adsorption on the Cu‐, Ag‐, and W‐doped Al(111) surfaces from DFT computation

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Study of the effects of an adatom Sn on the Cu surface electromigration using a first principles method

Cited by 9 publications

References 41 publications

Suppression of conductivity deterioration of copper thin films by coating with atomic-layer materials

Suppression of conductivity deterioration of copper thin films by coating with atomic-layer materials

Nonalloying surface reconstructions of ultrathin Sn films on Cu(111) investigated with LEED, XPS, and photoelectron extended fine structure analysis

O2 dissociative adsorption on the Cu‐, Ag‐, and W‐doped Al(111) surfaces from DFT computation

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O₂ dissociative adsorption on the Cu‐, Ag‐, and W‐doped Al(111) surfaces from DFT computation