Robust surface state of intrinsic topological insulator Bi2Te2Se thin films: a first-principles study

Bi(2)Te(2)Se, a ternary tetradymite compound, has recently been identified to be a three-dimensional topological insulator. In this paper, we theoretically study the electronic structures of bulk and thin films of Bi(2)Te(2)Se employing spin-orbit coupling (SOC) self-consistently with density-functional theory. It is found that SOC plays an important role in determining the electronic properties of Bi(2)Te(2)Se. A finite bandgap opens up in the surface states of Bi(2)Te(2)Se thin films due to the hybridization of the top and bottom surface states of films. The intrinsic Bi(2)Te(2)Se thin films of three or more quintuple layers exhibit a robust topological nature of electronic structure with the Fermi energy intersecting the Dirac cone of the surface states only once between time-reversal-invariant momenta. These characteristics of Bi(2)Te(2)Se are similar to the topological behavior of Bi(2)Te(3), promising a variety of potential applications in nanoelectronics and spintronics.     

Landau quantization and the thickness limit of topological insulator thin films of Sb2Te3

We report the experimental observation of Landau quantization of molecular beam epitaxy grown Sb{2}Te{3} thin films by a low-temperature scanning tunneling microscope. Different from all the reported systems, the Landau quantization in a Sb{2}Te{3} topological insulator is not sensitive to the intrinsic substitutional defects in the films. As a result, a nearly perfect linear energy dispersion of surface states as a 2D massless Dirac fermion system is achieved. We demonstrate that four quintuple layers are the thickness limit for a Sb{2}Te{3} thin film being a 3D topological insulator. The mechanism of the Landau-level broadening is discussed in terms of enhanced quasiparticle lifetime.     

Impurity effect on weak antilocalization in the topological insulator Bi2Te3

We study the weak antilocalization (WAL) effect in topological insulator Bi(2)Te(3) thin films at low temperatures. The two-dimensional WAL effect associated with surface carriers is revealed in the tilted magnetic field dependence of magnetoconductance. Our data demonstrate that the observed WAL is robust against deposition of nonmagnetic Au impurities on the surface of the thin films, but it is quenched by the deposition of magnetic Fe impurities which destroy the π Berry phase of the topological surface states. The magnetoconductance data of a 5 nm Bi(2)Te(3) film suggests that a crossover from symplectic to unitary classes is observed with the deposition of Fe impurities.     

Modification of the Hybridization Gap by Twisted Stacking of Quintuple Layers in a Three-Dimensional Topological Insulator Thin Film

Twisting the stacking of layered materials leads to rich new physics. A three-dimensional topological insulator film hosts two-dimensional gapless Dirac electrons on top and bottom surfaces, which, when the film is below some critical thickness, will hybridize and open a gap in the surface state structure. The hybridization gap can be tuned by various parameters such as film thickness and inversion symmetry, according to the literature. The three-dimensional strong topological insulator Bi(Sb)Se(Te) family has layered structures composed of quintuple layers(QLs) stacked together by van der Waals interaction. Here we successfully grow twistedly stacked Sb_2Te_3 QLs and investigate the effect of twist angels on the hybridization gaps below the thickness limit. It is found that the hybridization gap can be tuned for films of three QLs, which may lead to quantum spin Hall states.Signatures of gap-closing are found in 3-QL films. The successful in situ application of this approach opens a new route to search for exotic physics in topological insulators.     

Spin polarization and transport of surface states in the topological insulators Bi2Se3 and Bi2Te3 from first principles

We investigate the band dispersion and the spin texture of topologically protected surface states in the bulk topological insulators Bi2Se3 and Bi2Te3 by first-principles methods. Strong spin-orbit entanglement in these materials reduces the spin polarization of the surface states to ～50% in both cases; this reduction is absent in simple models but of important implications to essentially any spintronic application. We propose a way of controlling the magnitude of spin polarization associated with a charge current in thin films of topological insulators by means of an external electric field. The proposed dual-gate device configuration provides new possibilities for electrical control of spin.     

Bi(110)薄膜在NbSe_2衬底上的扫描隧道显微镜研究

二维拓扑绝缘体因其特殊的能带结构带来的新奇物理性质,成为近年来凝聚态物理的研究热点.尤其是在引入超导电性之后,二维拓扑绝缘体中可能存在马约拉纳费米子(Majorana fermion),因此在量子计算方面具有重大应用前景.在Bi(111)薄膜被证实为二维拓扑绝缘体之后, Bi(110)薄膜引起了广泛关注,然而其拓扑性质还存在争议.本文利用分子束外延技术在室温低生长速率环境下成功制备出了高质量的单晶Bi(110)薄膜.通过扫描隧道显微镜测量发现,薄膜以约8个原子层厚度为分界,从双层生长转变为单层生长模式.结合隧道谱测量发现,在NbSe_2衬底上生长的Bi(110)薄膜因为近邻效应而具有明显的超导性质,但并未显示出拓扑边缘态的存在.此外,对薄膜中特殊的量子阱态现象也进行了讨论.     

压力诱导酌拓扑绝缘体化合物Bi2Te3常压相的超导性

通过高压电阻测量,发现了拓扑绝缘体化合物BizTe3压力诱导的超导性,在3-6GPa的压力范围内,超导临界温度L约为3K．高压下原位同步辐射的结果证明这个超导相来源于常压相结构．通过霍尔效应的测量,发现超导的Bi2Te3样品的载流子为P型．对高压同步辐射结果Reitveld精修得到的晶格参数和原子位置,并以此进行第一性...     

In-plane transport and enhanced thermoelectric performance in thin films of the topological insulators Bi₂Te₃ and Bi₂Se₃

Several small-band-gap semiconductors are now known to protect metallic surface states as a consequence of the topology of the bulk electron wave functions. The known "topological insulators" with this behavior include the important thermoelectric materials Bi?Te? and Bi?Se?, whose surfaces are observed in photoemission experiments to have an unusual electronic structure with a single Dirac cone. We study in-plane (i.e., horizontal) transport in thin films made of these materials. The surface states from top and bottom surfaces hybridize, and conventional diffusive transport predicts that the tunable hybridization-induced band gap leads to increased thermoelectric performance at low temperatures. Beyond simple diffusive transport, the conductivity shows a crossover from the spin-orbit-induced antilocalization at a single surface to ordinary localization.     

Stable nontrivial Z2 topology in ultrathin Bi (111) films: a first-principles study

Recently, there have been intense efforts in searching for new topological insulator materials. Based on first-principles calculations, we find that all the ultrathin Bi (111) films are characterized by a nontrivial Z(2) number independent of the film thickness, without the odd-even oscillation of topological triviality as commonly perceived. The stable nontrivial Z(2) topology is retained by the concurrent band gap inversions at multiple time-reversal-invariant k points with the increasing film thickness and associated with the intermediate interbilayer coupling of the Bi film. Our calculations further indicate that the presence of metallic surface states in thick Bi (111) films can be effectively removed by surface adsorption.     

Elastic scattering of surface states on three-dimensional topological insulators

Topological insulators as a new type of quantum matter materials are characterized by a full insulating gap in the bulk and gapless edge/surface states protected by the time-reversal symmetry. We propose that the interference patterns caused by the elastic scattering of defects or impurities are dominated by the surface states at the extremal points on the constant energy contour. Within such a formalism, we summarize our recent theoretical investigations on the elastic scattering of topological surface states by various imperfections, including non-magnetic impurities, magnetic impurities, step edges, and various other defects, in comparison with the recent related experiments in typical topological materials such as BiSb alloys, Bi2Te3, and Bi2Se3 crystals.     

Experimental Realization of an Intrinsic Magnetic Topological Insulator

An intrinsic magnetic topological insulator(TI) is a stoichiometric magnetic compound possessing both inherent magnetic order and topological electronic states. Such a material can provide a shortcut to various novel topological quantum effects but remained elusive experimentally for a long time. Here we report the experimental realization of thin films of an intrinsic magnetic TI, MnBi_2Te_4, by alternate growth of a Bi_2Te_3 quintuple layer and a MnTe bilayer with molecular beam epitaxy. The material shows the archetypical Dirac surface states in angle-resolved photoemission spectroscopy and is demonstrated to be an antiferromagnetic topological insulator with ferromagnetic surfaces by magnetic and transport measurements as well as first-principles calculations. The unique magnetic and topological electronic structures and their interplays enable the material to embody rich quantum phases such as quantum anomalous Hall insulators and axion insulators at higher temperature and in a well-controlled way.     

Topological aspect and quantum magnetoresistance of β-Ag2Te

To explain the unusual nonsaturating linear magnetoresistance observed in silver chalcogenides, the quantum scenario has been proposed based on the assumption of gapless linear energy spectrum. Here we show, by first principles calculations, that β-Ag2Te with distorted antifluorite structure is in fact a topological insulator with gapless Dirac-type surface states. The characteristic feature of this new binary topological insulator is the highly anisotropic Dirac cone, in contrast with known examples, such as Bi2Te3 and Bi2Se3. The Fermi velocity varies an order of magnitude by rotating the crystal axis.     

A computational investigation of topological insulator Bi2Se3 film

Topological insulators have a bulk band gap like an ordinary insulator and conducting states on their edge or surface which are formed by spin–orbit coupling and protected by time-reversal symmetry. We report theoretical analyses of the electronic properties of three-dimensional topological insulator Bi₂Se₃ film on different energies. We choose five different energies (–123, –75, 0, 180, 350 meV) around the Dirac cone (–113 meV). When energy is close to the Dirac cone, the properties of wave function match the topological insulator’s hallmark perfectly. When energy is far way from the Dirac cone, the hallmark of topological insulator is broken and the helical states disappear. The electronic properties of helical states are dug out from the calculation results. The spin-momentum locking of the helical states are confirmed. A 3-fold symmetry of the helical states in Brillouin zone is also revealed. The penetration depth of the helical states is two quintuple layers which can be identified from layer projection. The charge contribution on each quintuple layer depends on the energy, and has completely different behavior along K and M direction in Brillouin zone. From orbital projection, we can find that the maximum charge contribution of the helical states is p_z orbit and the charge contribution on p_yand p_x orbits have 2-fold symmetry.     

Interfacing 2D and 3D topological insulators: Bi(111) bilayer on Bi2Te3

We report the formation of a bilayer Bi(111) ultrathin film, which is theoretically predicted to be in a two-dimensional quantum spin Hall state, on a Bi(2)Te(3) substrate. From angle-resolved photoemission spectroscopy measurements and ab initio calculations, the electronic structure of the system can be understood as an overlap of the band dispersions of bilayer Bi and Bi(2)Te(3). Our results show that the Dirac cone is actually robust against nonmagnetic perturbations and imply a unique situation where the topologically protected one- and two-dimensional edge states are coexisting at the surface.     

拓扑绝缘体薄膜生长与栅电压调控输运特性研究

文章讨论了三维拓扑绝缘体制备和输运性质研究方面的进展情况.首先介绍了拓扑绝缘体体材料和薄膜的制备,并介绍了文章作者利用分子束外延方法,在硅表面以及高介电常数材料钛酸锶表面生长高质量拓扑绝缘体Bi2Se3薄膜的工作.然后介绍了拓扑绝缘体输运研究的现状,以及文章作者在栅电压调控拓扑绝缘体外延薄膜的化学势和输运性质方面的研究成果.     

AlO_x/LiF composite protection layer for Cr-doped(Bi,Sb)_2Te_3 quantum anomalous Hall films

We have realized robust quantum anomalous Hall samples by protecting Cr-doped(Bi,Sb)_2Te_3 topological insulator films with a combination of LiF and A1O_x capping layers.The AlO_x/LiF composite capping layer well keeps the quantum anomalous Hall states of Cr-doped(Bi,Sb)_2Te_3 films and effectively prevent them from degradation induced by ambient conditions.The progress is a key step towards the realization of the quantum phenomena in heterostructures and devices based on quantum anomalous Hall system.     

Topological properties of Sb(111) surface: A first-principles study

First-principles calculations based on the density functional theory were performed to systematically study the electronic properties of the thin film of antimony in (111) orientation. By considering the spin-orbit interaction, for stoichiometric surface, the topological states keep robust for six-bilayer case, and can be recovered in the three-bilayer film, which are guaranteed by time-reversal symmetry and inverse symmetry. For reduced surface doped by non-magnetic Bi or magnetic Mn atom, localized three-fold symmetric features can be identified. Moreover, band structures show that the non-trivial topological states stand for non-magnetic substitutional Bi atom, while can be eliminated by adsorbed or substitutional magnetic Mn atom.     

Direct measurement of the out-of-plane spin texture in the Dirac-cone surface state of a topological insulator

We have performed spin- and angle-resolved photoemission spectroscopy of Bi(2)Te(3) and present the first direct evidence for the existence of the out-of-plane spin component on the surface state of a topological insulator. We found that the magnitude of the out-of-plane spin polarization on a hexagonally deformed Fermi surface of Bi(2)Te(3) reaches maximally 25% of the in-plane counterpart, while such a sizable out-of-plane spin component does not exist in the more circular Fermi surface of TlBiSe(2), indicating that the hexagonal deformation of the Fermi surface is responsible for the deviation from the ideal helical spin texture. The observed out-of-plane polarization is much smaller than that expected from the existing theory, suggesting that an additional ingredient is necessary for correctly understanding the surface spin polarization in Bi(2)Te(3).     

Terahertz response and colossal Kerr rotation from the surface states of the topological insulator Bi2Se3

We report the THz response of thin films of the topological insulator Bi2Se3. At low frequencies, transport is essentially thickness independent showing the dominant contribution of the surface electrons. Despite their extended exposure to ambient conditions, these surfaces exhibit robust properties including narrow, almost thickness-independent Drude peaks, and an unprecedentedly large polarization rotation of linearly polarized light reflected in an applied magnetic field. This Kerr rotation can be as large as 65° and can be explained by a cyclotron resonance effect of the surface states.     

Topological surface states in lead-based ternary telluride Pb(Bi(1-x)Sb(x))2Te4

We have performed angle-resolved photoemission spectroscopy on Pb(Bi(1-x)Sb(x))2Te4, which is a member of lead-based ternary tellurides and has been theoretically proposed as a candidate for a new class of three-dimensional topological insulators. In PbBi2Te4, we found a topological surface state with a hexagonally deformed Dirac-cone band dispersion, indicating that this material is a strong topological insulator with a single topological surface state at the Brillouin-zone center. Partial replacement of Bi with Sb causes a marked change in the Dirac carrier concentration, leading to the sign change of Dirac carriers from n type to p type. The Pb(Bi(1-x)Sb(x))2Te4 system with tunable Dirac carriers thus provides a new platform for investigating exotic topological phenomena.