External-charge-induced surface reconstruction on Ag(110)

Cl, Fu; Km, Ho

doi:10.1103/physrevlett.63.1617

Cited by 160 publications

(59 citation statements)

References 17 publications

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“…Namely, when the charge density is expected non-uniform for charged surfaces such as surfaces of ionic materials or geometrically rough surfaces, one needs larger unit-cell size perpendicular to the surface in the charged-slab calculations compared to the case of neutral surface calculations. It should be noted that the convergence situation is almost the same when one adopts the other recipe of the charged-slab calculation that uses Gaussian-type charged sheet at cell boundary as compensating charge [4].…”

Section: Resultsmentioning

confidence: 99%

“…The charged surfaces show interesting phenomena such as the field-induced reconstruction for some metal surfaces [1,2] and the variation of admolecular amount [3]. To approach these phenomena, the total-energy DF calculations have been extended to the methods using charged-slab systems [4,5]. However, the application of these methods is limited to a few systems at present [4,6] and there is no appropriate physical quantities that can be compared directly with charged-surface experiments.…”

Section: Introductionmentioning

confidence: 99%

“…To approach these phenomena, the total-energy DF calculations have been extended to the methods using charged-slab systems [4,5]. However, the application of these methods is limited to a few systems at present [4,6] and there is no appropriate physical quantities that can be compared directly with charged-surface experiments. Thus, the reliability of these methods is still unclear.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Density functional calculation of work function using charged slab systems

Kajita

Nakayama

Yamauchi

2006

J. Phys.: Conf. Ser.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Density functional calculation of work function using charged slab systems

Kajita

Nakayama

Yamauchi

2006

J. Phys.: Conf. Ser.

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“…A broadbased understanding of this phenomenon is as yet lacking (43], although several theoretical treatments for (110) surface have appeared [44][45][46]. The observed occurrence of the surface relaxations increasingly towards negative charges for the present stepped faces may be rationalized by a simple electrostatic argument.…”

Section: Charge-dependent Atomic Structuresmentioning

confidence: 99%

Charge-dependent atomic-scale structures of high-index and ( 110) gold electrode surfaces as revealed by scanning tunneling microscopy

et al. 1994

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“…6 An excess surface charge can induce a missing-row reconstruction on Ag(110). 7 Adatoms on the surface are stabilized by the presence of the tip and energy barriers for the diffusion processes in the region of the scanning tunneling microscopy-(STM) tip. 8 The presence of an electrostatic field is found to dramatically enhance the kinetics of Al(111) oxidation when O 2 molecules interact with the charged surface after electron bombardment.…”

mentioning

confidence: 99%

Effect of external electric field on the surface energetics ofAg∕Si(111)

Wei

Chan

et al. 2005

Phys. Rev. B

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Based on first-principles calculations, we found that the surface adsorption energetics of Ag on a Si(111) surface can be modified by imposing an external electric field. The preferred adsorption site is found to be field dependent. The most energetically favorable adsorption site of Ag on the Si(111) surface, among all the considered sites (hcp, fcc, bridge, and top), will undergo a transformation from the fcc site to the top site with an increase in field strength when the surface is positively biased. Surface diffusion and surface growth processes are influenced by various factors such as deposition rate, substrate temperature, surface reconstruction, and external stress. 1,2 It is always desirable to have additional control over such processes to attain certain metastable or stable surface configurations that are difficult or impossible to obtain with conventional procedures. The use of surfactants to achieve layer-bylayer growth 3-5 is a good example. However, surfactants may contaminate the surface and are thus of limited use in technology. Physical effects such as external fields may be advantageous since the surface remains "clean" when the external field is removed.There has been some evidence that surface morphology is strongly affected by an imposed electric field. It is well documented that potential-induced surface morphological changes are observed in metal/electrolyte interfaces. 6 An excess surface charge can induce a missing-row reconstruction on Ag(110). 7 Adatoms on the surface are stabilized by the presence of the tip and energy barriers for the diffusion processes in the region of the scanning tunneling microscopy-(STM) tip. 8 The presence of an electrostatic field is found to dramatically enhance the kinetics of Al(111) oxidation when O 2 molecules interact with the charged surface after electron bombardment. 9 It was also found that the electric field or surface charging can stabilize surface vacancy arrays in metal bcc(100) surfaces, leading to a change of surface configurations. 10 The field effects on Si ad-dimer diffusion on Si(001) have been shown by experimental 11 and theoretical 12 investigations. The electric field effect on surface diffusion has been investigated by the field ion microscopy (FIM) technique. Kellogg has found that an external electric field can indeed inhibit or promote surface selfdiffusion on Pt(001) surface, 13 and Feibelman tried to explain this experimental observation using ab initio calculations. 14 In this work, we will demonstrate that an externally imposed electric field may indeed modify or control surface adsorption energetics. Because of its importance for a wide variety of surface phenomena (STM, FIM, electrochemical interfaces), understanding the influence of an electric field on surface properties is also essential for interpreting some experimental results.Our main finding is that the binding energy of Ag on various sites of the Si(111) substrate could be influenced by an external electric field applied to the surfaces. For the case of zero electr...

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External-charge-induced surface reconstruction on Ag(110)

Cited by 160 publications

References 17 publications

Density functional calculation of work function using charged slab systems

Density functional calculation of work function using charged slab systems

Charge-dependent atomic-scale structures of high-index and ( 110) gold electrode surfaces as revealed by scanning tunneling microscopy

Effect of external electric field on the surface energetics ofAg∕Si(111)

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