Instability and Charge Density Wave of Metallic Quantum Chains on a Silicon Surface

Yeom, Han Woong; Takeda, Shumpei; Rotenberg, Eli; Matsuda, Iwao; Horikoshi, Kotaro; Schaefer, J. A.; Lee, C. M.; Kevan, S. D.; Ohta, Toshiaki; Nagao, Tadaaki; Hasegawa, Shuji

doi:10.1103/physrevlett.82.4898

Cited by 566 publications

(551 citation statements)

References 19 publications

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“…The phase transitions observed on the other surfaces such as In/Si(111) [3], In/Cu(001) [4,15,16], and Sn/Cu(001) [17] have also been suggested as due to the Peierls mechanism. Among these transitions, those on Cu(001) covered with In and Sn exhibit quite similar characteristics such as ground-state structures commensurate with the substrates, high-temperature Fermi surfaces slightly displaced from the low-temperature surface-Brillouine-zone boundaries, and large energy gaps in the ground states, which are considered as characteristic to strong-coupling CDW phase transitions.…”

Section: Introductionmentioning

confidence: 99%

“…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%

“…As solid surfaces and interfaces provide quasi-two-dimensional electron systems, efforts have long been paid to find Peierls transitions, which fruited in the last decade in the discovery of intriguing surface phase transitions which were suggested to be the Peierls, or CDW, phase transition [1][2][3][4].…”

Section: Introductionmentioning

confidence: 99%

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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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Section: Introductionmentioning

confidence: 99%

Section: Temperature Dependence Of the Electronic Structurementioning

confidence: 99%

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

Aruga

2006

Surface Science Reports

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“…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%

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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“…A few examples are Ag, Au, Sn, In, and Pb on Si or Ge surfaces, which all exhibit well-ordered structures. [1][2][3][4][5][6][7][8] Most of the studies have been devoted to deposition of a single metal, while binary combinations of metals have been given very little attention so far. Studies of binary overlayers have mostly involved the addition of small amounts of a second metal onto a well-ordered periodic substrate formed after deposition of the initial metal on an Si or Ge surface.…”

Section: Introductionmentioning

confidence: 99%

Electronic and atomic structures of a3×3surface formed by a binary Sn/Ag overlayer on the Ge(111)c(2×8) surface: ARPES, LEED, and STM studies

2012

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The electronic and atomic structures of a well-ordered 3×3 periodicity of a binary Sn/Ag overlayer on Ge(111) have been studied. The ordered binary overlayer was formed by depositing 0.75 monolayer of Sn on an Ag/Ge(111) √ 3× √ 3 surface. Annealing at 330 • C resulted in a low-energy electron diffraction pattern that exhibited sharp spots. A detailed electronic structure investigation was performed by angle-resolved photoelectron spectroscopy. The Sn/Ag/Ge(111) 3×3 surface shows a rich band structure. There are seven bands which are positively identified as 3×3 surface bands, all within 1.5 eV below the Fermi level (E F ). The upper two bands disperse across E F exhibiting steep almost linear dispersions down to a minimum energy of ≈0.40 eV below E F at the¯ point (≈0.30 eV at theK point). Constant energy contours have been mapped in the 3×3 surface Brillouin zone (SBZ) in order to study an intriguing split observed in the band structure related to the two upper bands. It turned out that the two upper bands are degenerate along the¯ −K andM −K symmetry lines of the 3×3 SBZ but separated along¯ −M. Scanning tunneling microscopy images obtained at ≈40 K show essentially a hexagonal structure except for a honeycomb structure in a limited bias range imaging empty states. Core-level spectroscopy shows a narrow Sn 4d spectrum consistent with the high degree of structural order.

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Instability and Charge Density Wave of Metallic Quantum Chains on a Silicon Surface

Cited by 566 publications

References 19 publications

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

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

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

Electronic and atomic structures of a3×3surface formed by a binary Sn/Ag overlayer on the Ge(111)c(2×8) surface: ARPES, LEED, and STM studies

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