<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>Ag</mml:mi><mml:mo>∕</mml:mo><mml:mi>Si</mml:mi><mml:mo>(</mml:mo><mml:mn>111</mml:mn><mml:mo>)</mml:mo><mml:msqrt><mml:mn>3</mml:mn></mml:msqrt><mml:mo>×</mml:mo><mml:msqrt><mml:mn>3</mml:mn></mml:msqrt></mml:mrow></mml:math>: Surface band splitting and the inequivalent triangle model

Zhang, Hanmin; Uhrberg, R. I. G.

doi:10.1103/physrevb.74.195329

Cited by 9 publications

(7 citation statements)

References 18 publications

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“…Considering the 3-fold symmetry of the R3-Ag/Si surface and 4-fold symmetry of the CoPc molecule, we find that these different orientations are symmetrically equivalent, that is, the CoPc molecules have almost a determined orientation with one symmetry axis tilting by 15° from the ⟨112̅⟩ directions, whereas the adsorption sites of the CoPc molecules show variations from one molecule to another. Figure b shows a magnified STM image of four CoPc molecules in different adsorption configurations, superimposed with the lattice of the R3-Ag/Si surface ,,− and the CoPc structural model. The four molecules shown in Figure b lie with their Co 2+ ion centers on top of the Ag atom or on the center of the Ag triangle, and with orientation of ±15° with respect to the [112̅] direction of the R3-Ag/Si surface.…”

Section: Resultsmentioning

confidence: 99%

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Negative Differential Resistance in a Hybrid Silicon-Molecular System: Resonance between the Intrinsic Surface-States and the Molecular Orbital

Zhang

Zhao

et al. 2012

ACS Nano

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It has been a long-term desire to fabricate hybrid silicon-molecular devices by taking advantages of organic molecules and the existing silicon-based technology. However, one of the challenging tasks is to design applicable functions on the basis of the intrinsic properties of the molecules, as well as the silicon substrates. Here we demonstrate a silicon-molecular system that produces negative differential resistance (NDR) by making use of the well-defined intrinsic surface-states of the Si (111)-√3 × √3-Ag (R3-Ag/Si) surface and the molecular orbital of cobalt(II)-phthalocyanine (CoPc) molecules. From our experimental results obtained using scanning tunneling microscopy/spectroscopy, we find that NDR robustly appears at the Co(2+) ion centers of the CoPc molecules, independent of the adsorption configuration of the CoPc molecules and irrespective of doping type and doping concentration of the silicon substrates. Joint with first principle calculations, we conclude that NDR is originated from the resonance between the intrinsic surface-state band S(1) of the R3-Ag/Si surface and the localized unoccupied Co(2+)d(z(2)) orbital of the adsorbed CoPc molecules. We expect that such a mechanism can be generally used in other silicon-molecular systems.

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Section: Resultsmentioning

confidence: 99%

“…The optimized lattice constant of Si is 5.458 Å. The inequivalent-triangle (IET) ,,− structure of R3-Ag/Si was described by a slab consisting of a silver layer, a missing top Si layer, three Si double layers, and a vacuum layer of 10 Å. A hydrogen layer was added to saturate the Si dangling bonds at the bottom surface.…”

Section: Methodsmentioning

confidence: 99%

Negative Differential Resistance in a Hybrid Silicon-Molecular System: Resonance between the Intrinsic Surface-States and the Molecular Orbital

Zhang

Zhao

et al. 2012

ACS Nano

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“…The Si(111)/Ag interface has been the subject of much investigation for many years [19][20][21][22][23][24][25][26][27] which we choose to model were identified experimentally in transmission electron microscopy (TEM) studies of commercial solar cells. The interatomic potential provides a much quicker route to calculating optimized geometries than DFT methods.…”

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confidence: 99%

Structural and electronic properties of silver/silicon interfaces and implications for solar cell performance

et al. 2011

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We present the results of an experimental and atomistic modelling investigation of the Silicon/Silver (Si/Ag) interfaces found in industrial solar cells. We use small ab initio calculations to parameterize a new interatomic potential for the Si/Ag interaction. This interatomic potential is then validated against larger ab initio calculations as well as the results of previous experimental and theoretical studies of Si/Ag systems. The interatomic potential allows us to perform a largescale search of the conformational space of Si/Ag interfaces identified from transmission electron microscopy (TEM) studies. The most favourable geometries thus identified are then used as the input for more accurate ab initio calculations. We demonstrate that the two interfaces which we identify experimentally have significantly different geometric and electronic structures. We also demonstrate how these different structures result in significantly different Schottky barriers at the interfaces.

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“…͓DOI: 10.1063/1.3173821͔ Si͑111͒-ͱ 3 ϫ ͱ 3-Ag surface is a widely studied system 1 that possesses well-defined surface-state ͑SS͒ bands. [2][3][4][5][6][7][8] It is interesting to make use of such SS bands in extension of silicon and silicon-based devices, which may be applied to build circuits based on the concept of hybrid functions. 9…”

mentioning

confidence: 99%

“…2,10,11 The Fermi level ͑E F ͒ of the surface is pinned by the SS band S 1 , irrespective of doping type and concentration in the bulk, so that the bulk bands bend upwards in the space-charge layer ͑SCL͒. 3,12,13 The SS band S 1 , with its bottom located at around 0.3 eV below E F , is highly upward-dispersive and partially filled by electrons and thus has relatively high electrical conductance.…”

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confidence: 99%

Probing negative differential resistance on Si(111)-3×3-Ag surface with scanning tunneling microscopy

Zhao

Wang

Hou

2009

Applied Physics Letters

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We present our study on the Si(111)-3×3-Ag surface using scanning tunneling microscopy/spectroscopy. The results reveal that the well defined localized surface-state bands S2/S3 in the surface with lightly doped Si substrate play an important role in electron transport. The relative wide space charge layer beneath the surface interplays with the localized surface states, thus leading to the effect of the negative differential resistance.

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Ag∕Si(111)3×3: Surface band splitting and the inequivalent triangle model

Cited by 9 publications

References 18 publications

Negative Differential Resistance in a Hybrid Silicon-Molecular System: Resonance between the Intrinsic Surface-States and the Molecular Orbital

Negative Differential Resistance in a Hybrid Silicon-Molecular System: Resonance between the Intrinsic Surface-States and the Molecular Orbital

Structural and electronic properties of silver/silicon interfaces and implications for solar cell performance

Probing negative differential resistance on Si(111)-3×3-Ag surface with scanning tunneling microscopy

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