The effect of reduced dimensionality on a semimetal: the electronic structure of the Bi(110) surface

Agergaard, Sine; Søndergaard, Ch.; Li, H; Nielsen, Martin; Hoffmann, S. V.; Li, Z; Hofmann, Philip

doi:10.1088/1367-2630/3/1/315

Cited by 74 publications

(70 citation statements)

References 23 publications

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“…on vicinal noble-metal surfaces both clean [336,337] and step-decorated [338], little is known about their dynamical properties [206,235]. The theoretical challenge for the future will be the extension of many-body calculations of quasiparticle dynamics to more complex systems such as quantum states in semimetals and their surfaces [339][340][341][342][343], quantum well states confined to a substrate surface [57,320], adatom-and molecule-induced states on metal substrates [344,345], spin-dependent quantum states on clean ferromagnetic surfaces [195,196,[313][314][315][316][317] and these surfaces covered with molecules. This extension should be accompanied by analysis of the role of different approximations used in the theory, for instance, the role of non-linear effects in screening [346][347][348][349][350], the importance of vertex corrections in many-body calculations of the electron-electron contribution [16], and the role of short-range strong correlations [351] in quasiparticle dynamics.…”

Section: Discussionmentioning

confidence: 99%

Decay of electronic excitations at metal surfaces

Echenique

Berndt

Chulkov

et al. 2004

Surface Science Reports

437

403

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Section: Discussionmentioning

confidence: 99%

Decay of electronic excitations at metal surfaces

Echenique

Berndt

Chulkov

et al. 2004

Surface Science Reports

437

403

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“…On the surfaces, however, no inversion symmetry is present and the surface state bands are split with respect to their spin direction. 2,7 So far, no direct measurements of the spin-dependent surface band structure have been reported and the evidence for the spin-orbit splitting is the excellent agreement between the measured surface state dispersion and that calculated from first-principles with the inclusion of the spin-orbit interaction. 7 Additional direct evidence is found in the quasiparticle interference pattern on Bi͑110͒.…”

Section: Introductionmentioning

confidence: 97%

Structure of the (111) surface of bismuth: LEED analysis and first-principles calculations

et al. 2005

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The surface structure of Bi͑111͒ was investigated by low-energy electron diffraction ͑LEED͒ intensity analysis for temperatures between 140 and 313 K and by first-principles calculations. The diffraction pattern reveals a ͑1 ϫ 1͒ surface structure and LEED intensity versus energy simulations confirm that the crystal is terminated with a Bi bilayer. Excellent agreement is obtained between the calculated and measured diffraction intensities in the whole temperature range. The first interlayer spacing shows no significant relaxation at any temperature while the second interlayer spacing expands slightly. The Debye temperatures deduced from the optimized atomic vibrational amplitudes for the two topmost layers are found to be significantly lower than in the bulk. The experimental results for the relaxations agree well with those of our first-principles calculation.

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“…In the theory one can clearly see that, as in Bi(111), the surface state on Bi(110) is degenerate at Γ and splits into two surface states along the symmetry lines with one electron per k-point. In contrast to Bi(111) this surface state is unoccupied atΓ and has negative effective electron masses that lead to the formation of the hole FS pocket aroundΓ [7]. This specific behavior of the surface state bands is also responsible for the formation of the electron FS pocket betweenX 1 andM 1 and the hole pocket atM 1 [7].…”

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confidence: 97%

“…Since these surface states contribute only very little to the density of states at the Fermi level, the observed spin-orbit or Rashba splitting of these states will not show up in transport phenomena. On the other hand, surface states of a semimetal would give a prominent contribution [6,7] which could make these systems interesting for applications in the field of spintronics. The surfaces of the semimetal Bi seem to be ideal to advance our understanding of SOC on surfaces and how it manifests itself in experiments.…”

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confidence: 99%

Strong Spin-Orbit Splitting on Bi Surfaces

et al. 2004

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Using first-principles calculations and angle-resolved photoemission, we show that the spin-orbit interaction leads to a strong splitting of the surface state bands on low-index surfaces of Bi. The dispersion of the states and the corresponding Fermi surfaces are profoundly modified in the whole surface Brillouin zone. We discuss the implications of these findings with respect to a proposed surface charge density wave on Bi(111) as well as to the surface screening, surface spin-density waves, electron (hole) dynamics in surface states, and to possible applications to the spintronics. Recently, spin-orbit coupling (SOC) on surfaces and the resulting splitting of the surface-state bands has attracted considerable attention. While it is a wellestablished fact that the reduction of coordination at surfaces and in thin films can lead to pronounced magnetic effects, the discovery of a small splitting in the band of the sp surface state on the non-magnetic Au(111) surface and its interpretation as being due to SOC by LaShell et al.[1] came as a surprise. More sophisticated angleresolved photoemission (ARPES) investigations and calculations have meanwhile confirmed this splitting [2] and the combination of the experimental results with firstprinciples calculations do indeed proof that the SOC is causing it [2,3]. Later, larger SOC-induced splittings were found on the Li-covered surfaces of W and Mo [4] and the predicted difference in spin-orientations for H on W(110) was confirmed experimentally using spinresolved ARPES [5]. Since these surface states contribute only very little to the density of states at the Fermi level, the observed spin-orbit or Rashba splitting of these states will not show up in transport phenomena. On the other hand, surface states of a semimetal would give a prominent contribution [6,7] which could make these systems interesting for applications in the field of spintronics. The surfaces of the semimetal Bi seem to be ideal to advance our understanding of SOC on surfaces and how it manifests itself in experiments. Of particular interest are the influence of the SOC on the electron-phonon coupling [8], electron and hole dynamics [9], and the possible formation of surface charge (spin) density waves. The occurrence of strong SOC in low-dimensional structures of non-magnetic materials could also have applications like spin-filter devices. ARPES measurements of the Fermi surface (FS) andsurface states were recently performed by Ast and Höchst for Bi(111) [10]. They interpreted the obtained FS in terms of two different surface bands which are not degenerate at theΓ point. Based on this electronic structure they proposed a possible mechanism for the formation of surface charge density waves (CDW) on Bi(111) [11]. Agergaard et al. [7] measured surface states and the FS on Bi(110). They pointed out that these surface states should be completely non-degenerate because of spin-orbit splitting but, as we show below, the splitting is so large that an easy identification of the spin-split bands was not possib...

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The effect of reduced dimensionality on a semimetal: the electronic structure of the Bi(110) surface

Cited by 74 publications

References 23 publications

Decay of electronic excitations at metal surfaces

Decay of electronic excitations at metal surfaces

Structure of the (111) surface of bismuth: LEED analysis and first-principles calculations

Strong Spin-Orbit Splitting on Bi Surfaces

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