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The peculiar metallic electronic states proposed and observed in Kondo insulators (KIs), whose bandgap opens at low temperature derived from the Kondo effect between itinerant and localized electrons, have attracted considerable attention in this decade, because it suggests the coexistence of strong electron correlation and non-trivial topological order (TO) in such KIs, namely topological Kondo insulators (TKIs). However, experimental studies of these states have led to controversial conclusions mainly owing to the difficulty and inhomogeneity of the single crystal surfaces of the TKI candidates, samarium hexaboride (SmB6) and ytterbium dodecaboride (YbB12). In this article, we review studies focused on the surface atomic and electronic structures of TKI candidates and recent progress to form homogeneous, well-defined clean surfaces of them. Due to the homogeneous surface formation, the surface electronic states and their non-trivial TO are elucidated well in SmB6 and YbB12, by using spin- and angle-resolved photoelectron spectroscopy.

Surface electronic structure and its one-dimensionality above and below the Fermi level ($E_{\rm F}$) were surveyed on the Bi/GaSb(110)-(2$\times$1) surface hosting quasi-one-dimensional (Q1D) Bi chains, using conventional (one-photon) and two-photon angle-resolved photoelectron spectroscopy (ARPES) and theoretical calculations. ARPES results reveal that the Q1D electronic states are within the projected bulk bandgap. Circular dichroism of two-photon ARPES and density-functional-theory calculation indicate clear spin and orbital polarization of the surface states consistent with the giant sizes of Rashba-type SOI, derived from the strong contribution of heavy Bi atoms. The surface conduction band above $E_{\rm F}$ forms a nearly straight constant-energy contour, suggesting its suitability for application in further studies of one-dimensional electronic systems with strong SOI. A tight-binding model calculation based on the obtained surface electronic structure successfully reproduces the surface band dispersions and predicts possible one- to two-dimensional crossover in the temperature range of 60--100~K., Comment: 18 pages, 6 figures and 2 tables

We fabricated spin-polarized surface electronic states with tunable Fermi levels from a semiconductor to low-dimensional metal in the Bi/GaSb(110)-$(2\ifmmode\times\else\texttimes\fi{}1)$ surface using angle-resolved photoelectron spectroscopy (ARPES) and spin-resolved ARPES. The spin-polarized surface band of Bi/GaSb(110) exhibits quasi-one-dimensional character with the Rashba parameter ${\ensuremath{\alpha}}_{\mathrm{R}}$ of 4.1 and 2.6 eV\AA{} at the $\overline{\mathrm{\ensuremath{\Gamma}}}$ and $\overline{\mathrm{Y}}$ points of the surface Brillouin zone, respectively. The Fermi level of the surface electronic state is tuned in situ by element-selective Ar-ion sputtering on the GaSb substrate. The giant Rashba-type spin splitting with switchable metallic/semiconducting character on a semiconductor substrate makes this system a promising candidate for future research in low-dimensional spintronic phenomena.

Electronic states of the Bi/InAs(110)-$(2\ifmmode\times\else\texttimes\fi{}1)$ surface and its spin-polarized structure are revealed by angle-resolved photoelectron spectroscopy (ARPES), spin-resolved ARPES, and density-functional-theory calculation. The surface electronic state showed quasi-one-dimensional (Q1D) dispersion curves and a nearly metallic character; the top of the holelike band is just below the Fermi level. The size of the Rashba parameter ${\ensuremath{\alpha}}_{\mathrm{R}}$ reached a much larger value ($\ensuremath{\sim}5.5$ eV\AA{}) than for previously reported 1D systems. The present result will provide a fertile playground for further studies of the exotic electronic phenomena in 1D or Q1D systems with the spin-split electronic states as well as for advanced spintronic devices.

The electronic structure of a Bi 0.91 Sb 0.09 single crystal was elucidated at a bisectrix ( 11 2 ¯ ) surface by angle-resolved photoemission spectroscopy using microbeam synchrotron radiation. A Dirac-cone-like dispersion of the surface state was observed at the Γ ¯ point. The detected surface-state band likely corresponds to the one observed in previous quantum transport research (Taskin and Ando, 2009) [14].

Samarium hexaboride (SmB6) is the most extensively studied candidate of topological Kondo insulators. To clarify the topological origin of metallic surface states observed on the SmB6(001) surfaces, we studied the surface electronic structure of SmB6 on the other surface orientation, SmB6(111). Although the SmB6(111) surface cannot be obtained by cleaving, we successfully obtained the well-defined clean surface by high-temperature annealing of the mechanically polished single crystal of SmB6(111) in an ultra-high vacuum. The valence band spectra obtained by photoelectron spectroscopy with the bulk and surface-sensitive incident photon energies imply that the surface is covered with B 6 cluster without Sm atoms.

The anisotropic changes in the electronic structure of a metal-to-insulator transition (MIT) material, RuAs, with two-step phase transition are reported by using polarized optical conductivity [$\sigma(\omega)$] spectra, angle-integrated photoelectron (PE) spectra, and band calculations based on local density approximation (LDA). Both the PE and $\sigma(\omega)$ spectra not only in the high-temperature (HT) phase but also in the low-temperature (LT) phase as well as the energy gap formation owing to the MIT were almost consistent with those derived from the LDA band calculations, so the fundamental electronic structure in the HT and LT phases can be explained without electron correlations. However, the electronic structure in the middle phase between the HT and LT phases has not been clarified. The polarized $\sigma(\omega)$ spectra revealed not only the anisotropic energy gap formation but also the anisotropic gap-opening temperature, i.e., the energy gap along the $c$ axis in the HT phase starts to open near the higher transition temperature, but that along the $b$ axis opens below the lower transition temperature. The finding suggests that the two-step MIT originates from the anisotropic energy gap formation., Comment: 7 pages, 7 figures

We study the one-electron spectral properties of one-dimensional interacting electron systems in which the interactions have finite range. We employ a mobile quantum impurity scheme that describes the interactions of the fractionalized excitations at energies above the standard Tomonga-Luttinger liquid limit and show that the phase shifts induced by the impurity describe universal properties of the one-particle spectral function. We find the explicit forms in terms of these phase shifts for the momentum dependent exponents that control the behavior of the spectral function near and at the (k,omega)-plane singularities where most of the spectral weight is located. The universality arises because the line shape near the singularities is independent of the short-distance part of the interaction potentials. For the class of potentials considered here, the charge fractionalized particles have screened Coulomb interactions that decay with a power-law exponent l>5. We apply the theory to the angle-resolved photo-electron spectroscopy (ARPES) in the highly one-dimensional bismuth-induced anisotropic structure on indium antimonide Bi/InSb(001). Our theoretical predictions agree quantitatively with both (i) the experimental value found in Bi/InSb(001) for the exponent alpha that controls the suppression of the density of states at very small excitation energy omega and (ii) the location in the (k,omega) plane of the experimentally observed high-energy peaks in the ARPES momentum and energy distributions. We conclude with a discussion of experimental properties beyond the range of our present theoretical framework and further open questions regarding the one-electron spectral properties of Bi/InSb(001)., 23 pages, 6 figures

Single crystalline bismuth (Bi) is known to have a peculiar electronic structure which is very close to the topological phase transition. The modification of the surface states of Bi depending on the temperature are revealed by angle-resolved photoelectron spectroscopy (ARPES). At low temperature, the upper branch of the surface state merged to the projected bulk conduction bands around the $\bar{M}$ point of the surface Brillouin zone (SBZ). In contrast, the same branch merged to the projected bulk valence bands at high temperature (400 K). Such behavior could be interpreted as a topological phase transition driven by the temperature, which might be applicable for future spin-thermoelectric devices. We discuss the possible mechanisms to cause such transition, such as the thermal lattice distortion and electron-phonon coupling., 15 pages with 6 figures (single column)

A synergistic effect between strong electron correlation and spin-orbit interaction (SOI) has been theoretically predicted to result in a new topological state of quantum matter on Kondo insulators (KIs), so-called topological Kondo insulators (TKIs). One TKI candidate has been experimentally observed on the KI SmB6(001), and the origin of the surface states (SS) and the topological order of SmB6 has been actively discussed. Here, we show a metallic SS on the clean surface of another TKI candidate YbB12(001), using angle-resolved photoelectron spectroscopy. The SS showed temperature-dependent reconstruction corresponding with the Kondo effect observed for bulk states. Despite the low-temperature insulating bulk, the reconstructed SS with c-f hybridization was metallic, forming a closed Fermi contour surrounding $\bar{\Gamma}$ on the surface Brillouin zone and agreeing with the theoretically expected behavior for SS on TKIs. These results demonstrate the temperature-dependent holistic reconstruction of two-dimensional states localized on KIs surface driven by the Kondo effect., Comment: 15 pages, 4 figures

Detailed surface electronic structure on the Bi/InSb(001) surface hosting Tomonaga–Luttinger liquid was observed by angle-resolved photoelectron spectroscopy (ARPES) with synchrotron radiation. ARPES energy distribution curves (EDCs) around the Fermi level indicated the two separate features dispersing with different Fermi velocity but approaching each other. Two possible scenarios, elemental excitations from separate spin/charge terms and those from independent two surface bands, are discussed based on the experimental results.

The peculiar metallic electronic states observed in the Kondo insulator, samarium hexaboride (SmB$_6$), has stimulated considerable attention among those studying non-trivial electronic phenomena. However, experimental studies of these states have led to controversial conclusions mainly to the difficulty and inhomogeneity of the SmB$_6$ crystal surface. Here, we show the detailed electronic structure of SmB$_6$ with angle-resolved photoelectron spectroscopy measurements of the three-fold (111) surface where only two inequivalent time-reversal-invariant momenta (TRIM) exist. We observe the metallic two-dimensional state was dispersed across the bulk Kondo gap. Its helical in-plane spin polarisation around the surface TRIM suggests that SmB$_6$ is topologically non-trivial, according to the topological classification theory for weakly correlated systems. Based on these results, we propose a simple picture of the controversial topological classification of SmB$_6$., 34 pages, 4 figures for main text; 9 figures for supplementary material

International audience; We review measurements of angle and time resolved photoelectron spectroscopy on the surface states of the Bi(1 1 1) surface. The work covers several aspects of these surface states, discussing the topological properties, the strong anisotropy of the spin–orbit splitting and the dynamical relaxation of photoexcited electrons. Since time resolved experiments disentagle interaction processes in real time, the reported data offer a novel perspective on the motion of charge carriers in surface states and will serve as an unuseful reference for other systems with strong spin–orbit coupling.

The present study gives experimental evidence of two-dimensional electronic states localized in subsurface layers of a Ge(1 1 1) substrate, in which a monolayer of Pb adsorbed on a Ge(1 1 1) surface is used as a template. We observed three pairs of the subsurface states by angle-resolved photoelectron spectroscopy, which are closely related to bulk heavy-hole, light-hole and spin–orbit split-off bands of Ge(1 1 1). The heavy-hole- and light-hole-derived bands show the Rashba-type band crossing at the Γ ¯ point. A density functional theory calculation suggests that the branches of these bands exhibit the Rashba-type spin splitting. On the other hand, we observed peculiar spin polarization for the subsurface states attributed to the bulk spin–orbit split-off band by spin- and angle-resolved photoelectron spectroscopy, where spin polarization of each branch is inverted with respect to Γ ¯ and the degeneracy, expected for a normal Rashba spin-split surface state is lifted at Γ ¯ .

Spintronics evolves along new paths involving non-magnetic materials having large spin-obit coupling, typically 5d metals, allowing for example large spin-to-charge current conversion (spin Hall and Rashba-Edelstein effects). These heavy metals have other effects: in proximity of magnetic thin films they can burst out the Dzyaloshinskii-Moriya interaction leading to the stabilization of chiral magnetic structures. Another source of recent interest relies on “non-trivial topologies”, either of the band structure of the topological insulators, or of the spin textures in magnetic thin films. We will discuss our recent progress to control the topological textures known as skyrmions in multilayers made of heavy metals and magnetic layers. Aiming at using skyrmions as magnetic bits in “racetrack memory” structures, one of the present challenges is to efficiently move skyrmions with dimensions of a few tens of nanometers. The topology of these magnetic structures imposes peculiar dynamics, interesting both in fundamental and applied perspectives. Simulations indicate that spin-orbit torques, through the absorption of the spin current generated by a nearby layer, should be the most efficient method. The conducting surfaces of topological insulators at which the carriers’ spin and momentum are locked, can display better spin-to-charge conversion than what is found using heavy metals. However, the control of the interfaces is crucial to conserve the Dirac cone and the associated spin-momentum locking. We demonstrate by ARPES and spin pumping experiments how the properties of the α-Sn thin film topological insulator are preserved and can be used for spintronics, maybe to move skyrmions!

We present a study of the tetragonal to collapsed-tetragonal transition of ${\mathrm{CaFe}}_{2}{\mathrm{As}}_{2}$ using angle-resolved photoemission spectroscopy and dynamical mean field theory-based electronic structure calculations. We observe that the collapsed-tetragonal phase exhibits reduced correlations and a higher coherence temperature due to the stronger Fe-As hybridization. Furthermore, a comparison of measured photoemission spectra and theoretical spectral functions shows that momentum-dependent corrections to the density functional band structure are essential for the description of low-energy quasiparticle dispersions. We introduce those using the recently proposed combined ``screened exchange + dynamical mean field theory'' scheme.

Surface states of platinum-induced atomic nanowires on a germanium (0 0 1) surface, which shows a structural phase transition at 80 K, were studied by angle-resolved photoelectron spectroscopy (ARPES). We observed four one-dimensional metallic surface states, among which, two bands were reported in our previous study (Yaji et al 2013 Phys. Rev. B 87 241413). One of the newly-found two bands is a quasi-one-dimensional state and is split into two due to the Rashba effect. Photoelectron intensity from one of the spin-polarized branches is reduced at a boundary of the surface Brillouin zone below the phase transition temperature. The reduction of the photoelectron intensity in the low temperature phase is interpreted as the interference of photoelectrons, not as the Peierls instability. We also discuss the low energy properties of the metallic surface states and their spin splitting using high-resolution ARPES with a vacuum ultraviolet laser.

We present results on spin to charge current conversion in experiments of resonant spin pumping into the Dirac cone with helical spin polarization of the elemental topological insulator (TI) α-Sn. By angle-resolved photoelectron spectroscopy (ARPES), we first check that the Dirac cone (DC) at the α-Sn (0 0 1) surface subsists after covering Sn with Ag. Then we show that resonant spin pumping at room temperature from Fe through Ag into α-Sn layers induces a lateral charge current that can be ascribed to the inverse Edelstein effect by the DC states. Our observation of an inverse Edelstein effect length much longer than those generally found for Rashba interfaces demonstrates the potential of TIs for the conversion between spin and charge in spintronic devices. By comparing our results with data on the relaxation time of TI free surface states from time-resolved ARPES, we can anticipate the ultimate potential of the TI for spin to charge conversion and the conditions to reach it.

A 1D metallic surface state was created on an anisotropic InSb(001) surface covered with Bi. Angle-resolved photoelectron spectroscopy (ARPES) showed a 1D Fermi contour with almost no 2D distortion. Close to the Fermi level (E_{F}), the angle-integrated photoelectron spectra showed power-law scaling with the binding energy and temperature. The ARPES plot above E_{F}, obtained thanks to a thermally broadened Fermi edge at room temperature, showed a 1D state with continuous metallic dispersion across E_{F} and power-law intensity suppression around E_{F}. These results strongly suggest a Tomonaga-Luttinger liquid on the Bi/InSb(001) surface.

The generation of spin-polarized electrons at room temperature is an essential step in developing semiconductor spintronic applications. To this end, we studied the electronic states of a Ge(111) surface, covered with a lead monolayer at a fractional coverage of 4/3, by angle-resolved photoelectron spectroscopy (ARPES), spin-resolved ARPES and first-principles electronic structure calculation. We demonstrate that a metallic surface-state band with a dominant Pb 6p character exhibits a large Rashba spin splitting of 200 meV and an effective mass of 0.028 me at the Fermi level. This finding provides a material basis for the novel field of spin transport/accumulation on semiconductor surfaces. Charge density analysis of the surface state indicated that large spin splitting was induced by asymmetric charge distribution in close proximity to the nuclei of Pb atoms., Semiconductor spintronics applications require materials that can exhibit large spin-splitting while preserving a large number of carriers. Yaji and co-workers show this is possible at room temperature using a germanium surface covered with a lead monolayer.

We investigated Bi thin film growth on Ge(1 1 1) by using low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM). In the submonolayer regime, adsorbed Bi atoms form patches of the ( 2 × 1 ) structure. However, the structure does not grow to a long-range order. Following the formation of a ( 1 × 1 ) monolayer (ML) film, two-dimensional (1 1 0)-orientated Bi islands grow. The film orientation changes from (1 1 0) to (1 1 1) at 6–10 ML. The (1 1 0)-oriented Bi film shows a six-domain LEED pattern with missing spots, associated with a glide-line symmetry. The hexagonal (1 1 1) film at 14 ML has a lattice constant 2% smaller than bulk Bi(1 1 1).

We report the evolution of the surface electronic structure and surface material properties of a topological crystalline insulator (TCI) Pb1-xSnxSe as a function of various material parameters including composition x, temperature T and crystal structure. Our spectroscopic data demonstrate the electronic groundstate condition for the saddle point singularity, the tunability of surface chemical potential, and the surface states' response to circularly polarized light. Our results show that each material parameter can tune the system between trivial and topological phase in a distinct way unlike as seen in Bi2Se3 and related compounds, leading to a rich and unique topological phase diagram. Our systematic studies of the TCI Pb1-xSnxSe are valuable materials guide to realize new topological phenomena., Comment: 10 pages, 7 figures. Expanded version of arXiv:1403.1560

The typical Kondo insulator, YbB12, is a candidate of topological Kondo insulators. To clarify the surface electronic structure of not only bulk but also surface by photoelectron measurements, we developed a method to obtain a clean surface of YbB12(001) by annealing at 1650 K in an ultra-high vacuum. By surface-sensitive photoelectron measurements, it was known that the surface consists of only B atoms without Yb. In the sub-surface region, Yb atoms exist and the temperature dependence of the valence agrees with those of previous HAXPES results. Here we report the cleaning method to obtain well-defined YbB12(001) surfaces and the temperature-dependent Yb valence obtained from Yb 3d core-level and valence photoelectron spectra.

The topological order of single-crystal Bi and its surface states on the (111) surface are studied in detail based on empirical tight-binding (TB) calculations. New TB parameters are presented that are used to calculate the surface states of semi-infinite single-crystal Bi(111), which agree with the experimental angle-resolved photoelectron spectroscopy results. The influence of the crystal lattice distortion is surveyed and it is revealed that a topological phase transition is driven by in-plane expansion with topologically non-trivial bulk bands. In contrast with the semi-infinite system, the surface-state dispersions on finite-thickness slabs are non-trivial irrespective of the bulk topological order. The role of the interaction between the top and bottom surfaces in the slab is systematically studied, and it is revealed that a very thick slab is required to properly obtain the bulk topological order of Bi from the (111) surface state: above 150 biatomic layers in this case.

The origin of the two-dimensional surface states localized in subsurface regions of the Ge(111) substrate has been studied by density-functional-theory calculations, which were compared with the experimental results of angle-resolved photoelectron spectroscopy. For the Bi/Ge(111)-$(\sqrt{3}\ifmmode\times\else\texttimes\fi{}\sqrt{3})R{30}^{\ensuremath{\circ}}$, Br/Ge(111)-(1$\ifmmode\times\else\texttimes\fi{}$1), and Tl/Ge(111)-(1$\ifmmode\times\else\texttimes\fi{}$1) surfaces, we found that the surface states are classified into three groups. The energy dispersion and the orbital character for each band implies the relationship between the subsurface states and the bulk heavy-hole, light-hole, and spin-orbit split-off bands. These results indicate that the subsurface states originate from the bulk bands that are perturbed due to the truncation of the three-dimensional periodicity at the surface.

Spin-split two-dimensional electronic states have been observed on ultrathin Sn(001) films grown on InSb(001) substrates. Angle-resolved photoelectron spectroscopy (ARPES) performed on these films revealed Dirac-cone-like linear dispersion around the $\bar{\Gamma}$ point of surface Brillouin zone, suggesting nearly massless electrons belonging to 2D surface states. The states disperse across a bandgap between bulk-like quantum well states in the films. Moreover, both circular dichroism of ARPES and spin-resolved ARPES studies show helical spin polarization of the Dirac-cone-like surface states, suggesting a topologically protected character as in a bulk topological insulator (TI). These results indicate that a quasi-3D TI phase can be realized in ultrathin films of zero-gap semiconductors., Comment: 4 main figures and 5 figures for supplemental material

International audience; We investigate the ultrafast response of the bismuth (111) surface by means of time resolved photoemission spectroscopy. The direct visualization of the electronic structure allows us to gain insights on electron-electron and electron-phonon interaction. Concerning electron-electron interaction , it is found that electron thermalization is fluence dependent and can take as much as several hundreds of femtoseconds at low fluences. This behavior is in qualitative agreement with Landau's theory of Fermi liquids but the data show deviations from the behavior of a common 3D degenerate electron gas. Concerning electron-phonon interaction, our data allows us to directly observe the coupling of individual Bloch state to the coherent A1g mode. It is found that surface states are much less coupled to this mode when compared to bulk states. This is confirmed by ab initio calculations of surface and bulk bismuth.

We have investigated the electronic band structure of Pt-induced nanowires on Ge(001) [Pt/Ge(001) NWs] by angle-resolved photoelectron spectroscopy at 6 K. Single-domain samples of Pt/Ge(001) NWs were prepared on vicinal Ge(001) substrates. One of the bands disperses only in the nanowire direction, and its Fermi surface consists of strictly straight lines, indicating that it is an ideal one-dimensional metallic state. An energy distribution curve of the one-dimensional band is explained by a Fermi-Dirac-type spectral shape, which is against both a Luttinger liquid and Peierls instability schemes.

We investigate the bismuth (111) surface by means of time and angle resolved photoelectron spectroscopy. The parallel detection of the surface states below and above the Fermi level reveals a giant anisotropy of the Spin-Orbit (SO) spitting. These strong deviations from the Rashba-like coupling cannot be treated in $\textbf{k}\cdot \textbf{p}$ perturbation theory. Instead, first principle calculations could accurately reproduce the experimental dispersion of the electronic states. Our analysis shows that the giant anisotropy of the SO splitting is due to a large out-of plane buckling of the spin and orbital texture., Comment: 5 pages, 4 figures

Temperature dependence of x-ray-diffraction profiles were measured during the disputed phase transition of the quasi-one-dimensional metallic nanowire system, In/Si(111). The diffraction intensity due to the interchain coupling showed a rapid decrease with increasing temperature from 115 to 125 K. In this temperature range, no significant broadening or diffuse scattering that should result from the fluctuation in the interchain order was observed. The intrachain structure factor, on the other hand, showed an increase as expected for the lifting of the Peierls distortion of the chains. We show that the present result is not well described by the order-disorder scenario. A pseudo-first-order transition mechanism is proposed as an alternative scenario based on the recent theoretical and experimental results.

A pair of different surface-state and surface-resonance bands has been identified on $\text{Bi}/\text{Ge}(111)\text{\ensuremath{-}}(\sqrt{3}\ifmmode\times\else\texttimes\fi{}\sqrt{3})R30\ifmmode^\circ\else\textdegree\fi{}$ by a combined experimental and computational study. The wave functions of the states have negligible amplitude at Bi atoms and are extended over more than 20 subsurface layers. These bands exhibit characteristic spin structure, which is ascribed to the combined Rashba and atomic spin-orbit interaction (SOI). Unlike previously known surface Rashba systems, the spin polarization is induced by SOI of a light element (Ge) with negligible contribution of a heavier one (Bi).

We have found a large spin splitting due to the Rashba spin-orbit interaction on the $\text{Bi}/\text{Ge}(111)\text{\ensuremath{-}}(\sqrt{3}\ifmmode\times\else\texttimes\fi{}\sqrt{3})R30\ifmmode^\circ\else\textdegree\fi{}$ surface by using angle-resolved photoelectron spectroscopy and first-principles electronic structure calculation. A surface resonance band derived from Bi exhibits the Rashba spin splitting with a large Rashba parameter $({\ensuremath{\alpha}}_{R})$ of $1.8\text{ }\text{eV}\text{ }\text{\AA{}}$. The spin-split states have a considerable $6s\text{\ensuremath{-}}6{p}_{z}$ hybridized character, which leads to a strong perpendicular asymmetry of the charge density in close proximity of Bi nuclei. The result suggests that the magnitude of the Rashba splitting on Bi-adsorbed surfaces should depend crucially on the local-bonding geometry of Bi.

We performed angle-resolved photoelectron spectroscopy of the Bi(111) surface to demonstrate that this surface support edge states of non-trivial topology. Along the $\bar{\Gamma}\bar{M}$-direction of the surface Brillouin zone, a surface-state band disperses from the projected bulk valence bands at $\bar{\Gamma}$ to the conduction bands at $\bar{M}$ continuously, indicating the non-trivial topological order of three-dimensional Bi bands. We ascribe this finding to the absence of band inversion at the $L$ point of the bulk Bi Brillouin zone. According to our analysis, a modification of tight-binding parameters can account for the non-trivial band structure of Bi without any other significant change on other physical properties., Comment: 13 pages, 4 figures. This manuscript has been accepted in New Journal of Physics

We show that a metallic surface state is formed on Tl/Ge(111)-(1 × 1). The surface state forms electron pockets around K of the surface Brillouin zone. A first-principles calculation reveals that the electron pockets are composed of a single branch of a spin-split surface-state band. The spin quantization axis is along the surface normal and inverts according to the time-reversal symmetry. Since this spin-split branch is the unique metallic band on this surface, the surface conductivity should be governed by this spin-split branch, suggesting a possible spin-polarized electric current.

We have determined the atomic structure of the Pb/Ge(111)- surface, which was shown to exhibit a large Rashba spin splitting in a metallic surface state by dynamical low-energy electron diffraction analysis. The Pb coverage for the optimized atomic structure is 4/3 with one Pb atom located at every third H3 site of the bulk-truncated Ge(111) surface and the other three near the T1 sites but slightly displaced towards the T4 sites. The determined atomic structure agrees well with the energetically optimized one obtained from the first-principles calculation. The calculation also revealed that the potential for the Pb atoms on the H3 sites is very soft along the surface normal, suggesting that their vertical position is distributed within a range of about 0.2–0.3 Å. The previously proposed phase transition associated with the surface melting is discussed.

We have determined the atomic structure of the Bi/Ge(111)- surface by dynamical low-energy electron diffraction (LEED) analysis and scanning tunneling microscopy (STM). The optimized atomic structure consists of Bi atoms which are adsorbed near the T1 sites of the bulk-truncated Ge(111) surface and form triangular trimer units centered at the T4 sites. The atomically resolved STM image was consistent with the LEED result. The structural parameters agree well with those optimized by a first-principles calculation which supports the interpretation of the electronic band splitting on this surface in terms of the giant Rashba effect.