Observation of π Berry phase in quantum oscillations of three‐dimensional Fermi surface in topological insulator Bi2Se3

We report the quantum transport studies on Bi₂Se₃ single crystal with bulk carrier concentration of ～10¹⁹ cm^–3. The Bi₂Se₃ crystal exhibits metallic character, and at low temperatures, the field dependence of resistivity shows clear Shubnikov–de Haas (SdH) oscillations above 6 T. The analysis of these oscillations through Lifshitz–Kosevich theory reveals a non‐trivial π Berry phase coming from three‐dimensional (3D) Fermi surface, which is a strong signature of Dirac fermions with three‐dimensional dispersion. The large Dingle temperature and non zero slope of Williamson–Hall plot suggest the presence of enhanced local strain field in our system which possibly transforms the regions of topological insulator to 3D Dirac fermion metal state. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

On the use of scanning tunneling microscopy to investigate surface structure and interface formation in transition metal oxides: SrTiO3 and TiO2

Since transition metal oxides are wide bandgap, low conductivity materials compared to conventional semiconductors, surface analysis by scanning tunneling microscopy (STM) is expected to be problematic. This paper considers the factors that affect atomic scale imaging of transition metal oxides and demonstrates how STM can be exploited to examine the geometric and electronic structures of SrTiO₃ and TiO₂ surfaces, their variations with thermochemical history, and the mechanisms of metal/oxide interface formation. The development of periodic atomic scale surface structure with variations in surface compositions are documented for both oxides. Further, the interactions of these surfaces with metal are examined by characterizing the morphologies that develop upon deposition of Cu on SrTiO₃ and Al on TiO₂.     

Preparation and Characterization of Activated Carbon – nFe3O4, Activated Carbon – nSiO2 and Activated Carbon – nZnO Hybrid Materials

The preparation and physicochemical characterization of activated carbon, nano metal oxides, and activated carbon – nFe₃O₄, activated carbon – nSiO₂ and activated carbon – nZnO hybrid materials has been undertaken. The materials have been characterized by scanning and transmission electron microscopy, x‐ray diffraction, CNH analysis and Fourier transform infrared spectroscopy. Surface area and porosity, ash content, pH, and point of zero charge were also measured. The results showed that the surfaces of activated carbon, nSiO₂, activated carbon – nFe₃O₄, activated carbon – nSiO₂ and activated carbon – nZnO are suitable for the sorption of cationic complexes while the surfaces of nFe₃O₄ and nZnO are favourable to the sorption of anionic complexes of heavy metals. Results also showed that the composition of the activated carbon and nano metal oxides increased the surface and micropore areas of nano metal oxides due to the large number of micropores and crevices on the surface of the hybrid materials.     

Characterization of the Fermi surface of the organic superconductor - by measurements of Shubnikov-de Haas and angle-dependent magnetoresistance oscillations and by electronic band-structure calculations

The electronic structure of the quasi two-dimensional (2D) organic superconductor -(ET)₂SF₅CH₂CF₂SO₃ was examined by measuring Shubnikov-de Haas (SdH) and angle-dependent magnetoresistance (AMRO) oscillations and by comparing with electronic band-structure calculations. The SdH oscillation frequencies follow the angular dependence expected for a 2D Fermi surface (FS), and the observed fundamental frequency shows that the 2D FS is 5% of the first Brillouin zone in size. The AMRO data indicate that the shape of the 2D FS is significantly non-circular. The calculated electronic structure has a 2D FS in general agreement with experiment. From the temperature and angular dependence of the SdH amplitude, the cyclotron and band effective masses were estimated to be and ,where g is the conduction electron g factor and the free electron mass. The band effective mass is estimated to be from the calculated electronic band structure. Received: 3 March 1997 / Revised: 5 May 1997 / Received in final form: 5 November 1997 / Accepted: 10 November 1997     

On the berry phase in quantum oscillations observed in 3D topological insulators

It is demonstrated that the copper-doped high-quality Bi Se single crystals with a high density of bulk charge carriers are certainly 3D topological insulators. The analysis of quantum Shubnikov?de Haas (SdH) oscillations reveals that these materials simultaneously exhibit two types of such oscillations determined by the Landau levels related to both the 3D and 2D Fermi surfaces.     

Shubnikov-de Haas oscillations of massive Dirac fermions in a Dirac antiferromagnet SrMnSb2

We investigate the physical properties of massive Dirac fermions in SrMnSb₂ using transport, specific heat, electronic structure calculations, and Shubnikov-de Haas (SdH) oscillations. SrMnSb₂ is a candidate Dirac antiferromagnet, consisting of the MnSb layers and the distorted square net of Sb atoms with a zigzag chain structure. This structural distortion leads to gap opening at the band crossing point found in the square lattice of the sister compound SrMnBi₂ but leaves another Dirac band crossing near the Brillouin zone boundary. The small 2D Fermi surface with a light electron mass and a small Fermi energy is confirmed by the large resistivity anisotropy, the large Seebeck coefficient, and also the angle and temperature dependent SdH oscillations. The Berry phase obtained from the SdH oscillations is trivial, in contrast to the case of SrMnBi₂. The relatively large spin orbit coupling gap and the small Fermi energy in SrMnSb₂ is found to be essential to understand this contrasting behavior of the massive Dirac fermions as compared to SrMnBi₂. Our observations demonstrate that the Berry phase of the mobile electrons in SrMnSb₂ is sensitive to the Fermi level change and can be tuned by doping or deficiency.     

Surface states of charge carriers in epitaxial films of the topological insulator Bi2Te3

The galvanomagnetic properties of p-type bismuth telluride heteroepitaxial films grown by the hot wall epitaxy method on oriented muscovite mica substrates have been investigated. Quantum oscillations of the magnetoresistance associated with surface electronic states in three-dimensional topological insulators have been studied in strong magnetic fields ranging from 6 to 14 T at low temperatures. The cyclotron effective mass, charge carrier mobility, and parameters of the Fermi surface have been determined based on the results of analyzing the magnetoresistance oscillations. The dependences of the cross-sectional area of the Fermi surface S(k _F), the wave vector k _F, and the surface concentration of charge carriers n _s on the frequency of magnetoresistance oscillations in p-type Bi₂Te₃ heteroepitaxial films have been obtained. The experimentally observed shift of the Landau level index is consistent with the value of the Berry phase, which is characteristic of topological surface states of Dirac fermions in the films. The properties of topological surface states of charge carriers in p-type Bi₂Te₃ films obtained by analyzing the magnetoresistance oscillations significantly expand fields of practical application and stimulate the investigation of transport properties of chalcogenide films.     

Electronic structure calculations for inhomogeneous systems: Interfaces,surfaces, and nanocontacts

The article gives an introduction into the application of density functional theory (DFT) to inhomogeneous systems. To begin with, we describe the interplay of specific materials at interfaces, resulting in structure relaxation and modifications of the chemical bonding. We address interfaces between YBa₂Cu₃O₇ and a normal metal, in order to quantify the intrinsic interface charge transfer into the superconductor. Moreover, we study the internal interfaces in a V₆O₁₃ battery cathode and the effects of ion incorporation during the charging and discharging process. The second part of the article deals with the influence of surfaces on the nearby electronic states. Here, we investigate a LaAlO₃/SrTiO₃ heterostructure in a thin film geometry. We particularly explain the experimental dependence of the electronic states at the heterointerface on the surface layer thickness. Afterwards, surface relaxations are studied for both the clean Ge(001) surface and for self‐assembled Pt nanowires on Ge(001). In the third part, we turn to atomic and molecular contacts. We compare the properties of prototypical Al nanocontact geometries, aiming at insight into the chemical bonding and the occupation of the atomic orbitals. Finally, the local electronic structure of a benzene‐1,4‐dithiol molecule between two Au electrodes is discussed as an example for a molecular bridge.     

Impact of Ultrathin Pb Films on the Topological Surface and Quantum-Well States of Bi<Subscript>2</Subscript>Se<Subscript>3</Subscript> and Sb<Subscript>2</Subscript>Te<Subscript>3</Subscript> Topological Insulators

The effect of an ultrathin Pb film deposited on the surface of Bi₂Se₃ and Sb₂Te₃ compounds on the electronic state structure of topological insulators is studied experimentally by the angle-resolved photoemission spectroscopy (ARPES) technique. The following features are revealed: formation of two-dimensional quantum-well states in the near-surface region, an increase in the binding energy of the Dirac cone and the core levels, and a simultaneous electronic states intensity redistribution in the system in photoemission spectra. The results obtained show that topological states may coexist at the interface between studied materials and a superconductor, which seems to be promising for application in quantum computers.     

On the origin of two-dimensional electron gas states at the surface of topological insulators

The ab initio calculations of the electronic structure in the bulk and at the (0001) surface of narrow-band Bi₂Se₃, Sb₂Te₃, Sb₂STe₃, and Sb₂SeTe₂ semiconductors have been performed. It has been shown that ternary compounds Sb₂STe₂ and Sb₂SeTe₂, as well as the previously known compounds Bi₂Se₃ and Sb₂Te₃, are three-dimensional topological insulators. The influence of the subsurface van der Waals gap expansion on the surface electronic structure of these compounds has been analyzed. It has been shown that this expansion leads to the formation of new (trivial) surface states, namely a parabolic state in the conduction band and an M-shaped state in the valence band. These results explain the phenomena discovered recently in photoemission experiments and reveal the nature of new states that are caused by the adsorption of atoms on the surfaces of the layered topological insulators.     

Shubnikov-de Haas oscillations spectrum of the strongly correlated quasi-2D organic metal (ET)8[Hg4Cl12(C6H5Br)2] under pressure

Pressure dependence of the Shubnikov-de Haas (SdH) oscillations spectra of the quasi-two dimensional organic metal (ET)₈[ Hg₄Cl₁₂(C₆H₅Br)₂] have been studied up to 1.1 GPa in pulsed magnetic fields of up to 54 T. According to band structure calculations, its Fermi surface can be regarded as a network of compensated orbits. The SdH spectra exhibit many Fourier components typical of such a network, most of them being forbidden in the framework of the semiclassical model. Their amplitude remains large in all the pressure range studied which likely rules out chemical potential oscillation as a dominant contribution to their origin, in agreement with recent calculations relevant to compensated Fermi liquids. In addition to a strong decrease of the magnetic breakdown field and effective masses, the latter being likely due to a reduction of the strength of electron correlations, a sizeable increase of the scattering rate is observed as the applied pressure increases. This latter point, which is at variance with data of most charge transfer salts is discussed in connection with pressure-induced features of the temperature dependence of the zero-field interlayer resistance.     

Half-metallic behaviour in doped TiO2 (rutile) with double impurities: ab initio calculation

Dilute magnetic oxides are without doubt among the most interesting classes of magnetic materials. However, the nature of their electronic structure and magnetic exchange is far from understood. Here, we apply the ab initio augmented spherical wave (ASW) method, with corrected generalised gradient approximation to study the electronic structure and magnetic properties of doped TiO₂ rutile with double impurities. The study reveals a half-metallic ferromagnetic behaviour for Ti_1?2x Cr _x Mo _x O₂, and the local magnetic moments of the impurities and their oxidation states agree with the charge transfer between Cr and Mo, which would lead to the ferromagnetic state through the double-exchange mechanism in transition metal oxides.     

高迁移率InGaAs/InP量子阱中的有效g因子

利用化学束外延法制备了高迁移率的In_0.53Ga_0.47As/InP量子阱样品. 在样品的低温磁输运测试中, 观察到纵向磁阻的Shubnikov-de Hass (SdH) 振荡和零场自旋分裂引起的拍频. 本文提出一种解析的方法, 即通过同时拟合不同倾斜磁场下SdH振荡的傅里叶变换谱, 得到有效g因子的大小.     

Structure of van der Waals bound hybrids of organic semiconductors and transition metal dichalcogenides: the case of acene films on MoS2

Transition metal dichalcogenides (TMDC) are important representatives in the emerging field of two‐dimensional materials. At present their combination with molecular films is discussed as it enables the realization of van der Waals bound organic/inorganic hybrids which are of interest in future device architectures. Here, we discuss the potential use of molybdenum disulfide (MoS₂) as supporting substrate for the growth of well‐defined, crystalline organic adlayers. By this means, hybrid systems between the TMDC surface and organic compounds can be prepared, allowing for the profound investigation of mutual optical and electronic coupling mechanisms. As model system, we choose pentacene and perfluoropentacene as prototypical organic semiconductors and analyze their film formation on MoS₂(001) surfaces. In both cases, we observe smooth, crystalline film growth in lying molecular configuration, hence enabling the preparation of well‐defined hybrid systems. By contrast, on defective MoS₂ surfaces both materials adopt an upright molecular orientation and exhibit distinctly different film morphologies. This emphasizes the importance of highly ordered TMDC surfaces with low defect density for the fabrication of well‐defined hybrid systems.     

Synthesis and characterization of 2D transition metal dichalcogenides: Recent progress from a vacuum surface science perspective

Layered transition metal dichalcogenides (TMDs) are a diverse group of materials whose properties vary from semiconducting to metallic with a variety of many body phenomena, ranging from charge density wave (CDW), superconductivity, to Mott-insulators. Recent interest in topologically protected states revealed also that some TMDs host bulk Dirac- or Wyle-semimetallic states and their corresponding surface states. In this review, we focus on the synthesis of TMDs by vacuum processes, such as molecular beam epitaxy (MBE). After an introduction of these preparation methods and categorize the basic electronic properties of TMDs, we address the characterization of vacuum synthesized materials in their ultrathin limit-mainly as a single monolayer material. Scanning tunneling microscopy and angle resolved photoemission spectroscopy has revealed detailed information on how monolayers differ in their properties from multi-layer and bulk materials. The status of monolayer properties is given for the TMDs, where data are available. Distinct modifications of monolayer properties compared to their bulk counterparts are highlighted. This includes the well-known transition from indirect to direct band gap in semiconducting group VI-B TMDs as the material-thickness is reduced to a single molecular layer. In addition, we discuss the new or modified CDW states in monolayer VSe₂ and TiTe₂, a Mott-insulating state in monolayer 1T-TaSe₂, and the monolayer specific 2D topological insulator 1T′-WTe₂, which gives rise to a quantum spin Hall insulator. New structural phases, that do not exist in the bulk, may be synthesized in the monolayer by MBE. These phases have special properties, including the Mott insulator 1T-NbSe₂, the 2D topological insulators of 1T′-MoTe₂, and the CDW material 1T-VTe₂. After discussing the pure TMDs, we report the properties of nanostructured or modified TMDs. Edges and mirror twin grain boundaries (MTBs) in 2D materials are 1D structures. In group VI-B semiconductors, these 1D structures may be metallic and their properties obey Tomonaga Luttinger quantum liquid behavior. Formation of Mo-rich MTBs in Mo-dichalcogenides and self-intercalation in between TMD-layers are discussed as potential compositional variants that may occur during MBE synthesis of TMDs or may be induced intentionally during post-growth modifications. In addition to compositional modifications, phase switching and control, in particular between the 1H and 1T (or 1T′) phases, is a recurring theme in TMDs. Methods of phase control by tuning growth conditions or by post-growth modifications, e.g. by electron doping, are discussed. The properties of heterostructures of TMD monolayers are also introduced, with a focus on lateral electronic modifications in the moiré-structures of group VI-B TMDs. The lateral potential induced in the moiré structures forms the basis of the currently debated moiré-excitons. Finally, we review a few cases of molecular adsorption on nanostructured monolayer TMDs. This review is intended to present a comprehensive overview of vacuum studies of fundamental materials' properties of TMDs and should complement the investigations on TMDs prepared by exfoliation or chemical vapor deposition and their applications.     

Landau-level interplay in InGaAs double quantum wells

Shubnikov–de Haas (SdH) and Hall measurements have been used to investigate a pair of adjacent two-dimensional electron gases (2DEGs) which were formed in two n_0.53Ga_0.47As quantum-wells, separated by a thin In_0.52Al_0.48As barrier, grown lattice-matched on InP. This double quantum-well system consists of two asymmetric InGaAs quantum wells, 9 nm and 7 nm respectively, separated by a 4.5 nm InAlAs barrier. The existence of two occupied electronic subbands with differing electron densities can clearly be identified by beating effects in the SdH oscillations. By applying a substrate bias the electron densities can be tuned and the beating is shifted. In the simultaneously performed Hall measurements additional features can be observed: Hall measurements with different total electron densities reveal plateaus for integer filling factors ν (with ν = ν₁ + ν₂, ν₁and ν₂both integers, corresponding to the two subbands). Some even filling factors become suppressed and recover with changing electron density. Also, for some densities an odd filling factor is observed. The systematic tuning of the electron densities via the application of a bias voltage to the front gate reveals two Landau fans, one for each electronic system, respectively, crossing each other. The electron densities for both electronic systems can be identified by analysing the SdH spectra. As a function of the front-gate voltage, these densities seem to show evidence for an anticrossing of the two electronic states and therefore for a strong coupling between the states.     

GaAsδ-doped quantum wire superlattice characterization by quantum Hall effect and Shubnikov–de Haas oscillations

Quantum wire superlattices (1D) realized by controlled dislocation slipping in quantum well superlattices (2D) (atomic saw method) have already shown Magneto-phonon oscillations. This effect has been used to investigate the electronic properties of such systems and prove the quantum character of the physical properties of the wires. By cooling the temperature and using pulsed magnetic field up to 35 T, we have observed both quantum Hall effect (QHE) and Shubnikov–de Haas (SdH) oscillations for various configurations of the magnetic field. The effective masses deduced from the values of the fundamental fields are coherent with those obtained with Magneto-phonon effect. The field rotation induces a change in the resonance frequencies due to the modification of the mass tensor as in a (3D) electron gas. In view the QHE, the plateaus observed in ρ_YZare dephased relatively toρ_ZZ minima which seems to be linked to the dephasing of the minima of the density of states of the broadened Landau levels.     

Quantum oscillations and the Sermi surface of LuB12

To examine the Fermi surface of LuB₁₂, measurements of the de Haas-van Alphen (dHvA) effect were made at temperatures between 0.35 and 2 K in magnetic fields up to 12 Tesla. Oscillations in the susceptibility occurred above 5 Tesla in any field direction relative to the single crystal sample. From the Fourier transform of the data obtained, we conclude the Fermi surface of both conduction bands to have multiple extremal cross sections. For some of these orbits, the temperature dependence of the dHvA signal was investigated to determine the corresponding cyclotron mass. For a better understanding, a Full Potential Linearized Augmented Plane Wave-(FLAPW-) band structure calculation was carried out and the shapes of the Fermi surfaces were determined. In addition, we investigated the transverse magnetoresistance as a function of the field and the field direction. Its anisotropy, as well as the Shubnikov-de Haas (SdH) oscillations occurring in certain geometries, are in agreement with the results of the dHvA measurements.