Metal-Insulator Transition in Au Atomic Chains on Si with Two Proximal Bands

Ahn, Joung Real; Yeom, Han Woong; Yoon, Hyong Seo; Lyo, In‐Whan

doi:10.1103/physrevlett.91.196403

Cited by 174 publications

(242 citation statements)

References 16 publications

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“…13,38 These bands are half filled and exhibit, as the temperature is lowered, a metal-insulator transition that is accompanied by a periodicity doubling along the steps in the STM images. [12][13][14]16 The Si͑553͒-Au surface, which has a smaller terrace width, shows two bands similar to those observed in the case of the Si͑557͒-Au system. It also shows a strongly dispersing one-dimensional band with a fractional ͑ϳ1 / 3͒ filling.…”

Section: Introductionsupporting

confidence: 49%

“…However, these three reconstructions suffer structural distortions associated with metal-insulator transitions when the temperature is lowered. 12,21,24,25,29,30 The photoemission spectrum of the Si͑557͒-Au surface is dominated by two proximal one-dimensional bands with paraboliclike dispersions. According to ab initio calculations based on the existing structural model, 10,11 these two bands are due to the spin-orbit splitting of a band coming from the hybridization of the states of the gold chains with their silicon neighbors.…”

Section: Introductionmentioning

confidence: 99%

“…In the case of vicinal substrates, the average terrace width can be controlled by the miscut angle, which provides a route to tuning interwire distances and interactions. 3 Some examples of quasi-one-dimensional reconstructions that have attracted much attention in recent years are the Si͑111͒-͑5 ϫ 2͒-Au, [3][4][5][6][7] Si͑557͒-Au, [8][9][10][11][12][13][14][15][16] Si͑553͒-Au, [17][18][19][20][21][22][23][24] and Si͑111͒-͑4 ϫ 2͒-In ͑Refs. 25-37͒ surfaces.…”

Section: Introductionmentioning

confidence: 99%

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Systematic investigation of the structure of the Si(553)-Au surface from first principles

Riikonen

Sánchez‐Portal

2008

Phys. Rev. B

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We present here a comprehensive search for the structure of the Si͑553͒-Au reconstruction. More than 200 different trial structures have been studied using first-principles density-functional calculations with the SIESTA code. An iterative procedure, with a step-by-step increase in the accuracy and computational cost of the calculations, was used to allow for the study of this large number of configurations. We have considered reconstructions restricted to the topmost bilayer and studied two types: ͑i͒ "flat" surface-bilayer models, where atoms at the topmost bilayer present different coordinations and registries with the underlying bulk, and ͑ii͒ nine different models based on the substitution of a silicon atom by a gold atom in different positions of a -bonded chain reconstruction of the Si͑553͒ surface. We have developed a compact notation that allows us to label and identify all these structures. This is very useful for the automatic generation of trial geometries and for counting the number of inequivalent structures, i.e., structures that have different bonding topologies. The most stable models are those that exhibit a honeycomb-chain structure at the step edge. One of our models ͑model "f2"͒ reproduces the main features of the room temperature photoemission and scanning-tunneling microscopy data. Thus, we conclude that this model is a good candidate for the high temperature structure of the Si͑553͒-Au surface.

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Section: Introductionsupporting

confidence: 49%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Systematic investigation of the structure of the Si(553)-Au surface from first principles

Riikonen

Sánchez‐Portal

2008

Phys. Rev. B

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“…It, however, is usually difficult to determine the absolute energy gap experimentally [3,17,[94][95][96][97][98], because photoemission is sensitive only to occupied electronic states and angle-resolved inverse photoemission lacks energy resolution sufficient for the precise determination of energy gaps. The CDW ground states in the surface systems have superstructures commensurate to the substrate lattice.…”

Section: Temperature Dependence Of the Electronic Structurementioning

confidence: 99%

Surface Peierls transition on Cu(001) covered with heavier p-block metals

Aruga

2006

Surface Science Reports

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The Cu(001) surface covered with submonolayer coverages of In and Sn undergoes phase transitions at around 350-400 K. The transition is associated with the surface electronic structure change between low-temperature gapped and high-temperature ungapped ones. The energy gap positions in the k space coincide with the surface Brillouine zone boundaries of the low-temperature phases. These observations imply that the phase transitions are classified into the Peierls-type charge density wave (CDW) phase transition. The CDW ground states are characterized by large overall CDW gaps and long CDW correlation lengths. Structural studies show that the transitions are associated with order-disorder processes. This suggests that these are in strong-coupling regime. However, the associated gapped-ungapped change suggests that the electronic terms play significant role, in contradiction with the strong-coupling scenario. Based on the results of recent works on precise temperature dependence of the CDW gap and critical X-ray scattering, the origin of this dual nature and the detailed mechanism of the phase transition is discussed. It is suggested that the electronic entropy of the CDW ground state is not governed by the overall energy gap but by the gap between the upper band minimum and the Fermi level of the whole system. The dual nature of the surface Peierls transition on Cu(001) originates, on one hand, from the existence at metal surfaces of the two characteristic energy gaps: the overall gap, which determines the CDW stabilization energy, and the upper gap, which governs the electronic entropy. On the other hand, the CDW correlation length is suggested to play another significant role in determining the nature of the Peierls transition. The classification of the Peierls transisions according to the CDW correlation length and the gap size is discussed. It is suggested that the surface Peierls transition on metal-covered Cu(001) covered with heavier p-block metallic elements are qualitatively different from both the weak-coupling CDW transition, with long CDW correlation length and small gaps, and the strong-coupling CDW transitions, with short correlation lengths and large gaps, and should be classified into the third class, which is characterized by long coherence and strong coupling.

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“…9,11,12 In the simplest case, the Si substrate acts as a simple dielectric medium in the energy range of interest here but it mediates the coupling to two ͑and three͒ dimensions. It is therefore crucial for structure and array formation, as also demonstrated below.…”

Section: Introductionmentioning

confidence: 99%

One-dimensional plasmons in ultrathin metallic silicide wires of finite width

et al. 2010

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The acoustic dispersion of plasmons ͑PLs͒ in narrow ͑4 nm͒ and ultrathin ͑one unit cell͒ metallic DySi 2 wires, grown by self-assembly on vicinal Si͑100͒-͓011͔ 4°turns out to be unidirectional. We observed the lowest intersubband PL as well as the acoustic PL. These PLs are specific for narrow metallic strips of finite width. Our experimental and theoretical analysis suggests that only one of two electron pockets in the surface Brillouin zone makes a substantial contribution to the PLs because the other pocket has a much smaller conductive character due to a strong admixture of electronic states with d character.

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Metal-Insulator Transition in Au Atomic Chains on Si with Two Proximal Bands

Cited by 174 publications

References 16 publications

Systematic investigation of the structure of the Si(553)-Au surface from first principles

Systematic investigation of the structure of the Si(553)-Au surface from first principles

Surface Peierls transition on Cu(001) covered with heavier p-block metals

One-dimensional plasmons in ultrathin metallic silicide wires of finite width

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