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.     

Electronic properties and interfacial coupling in Pb islands on single-crystalline graphene

Introducing metal thin films on two-dimensional (2D) material may present a system to possess exotic properties due to reduced dimensionality and interfacial effects. We deposit Pb islands on single-crystalline graphene on a Ge(110) substrate and studied the nano- and atomic-scale structures and low-energy electronic excitations with scanning tunneling microscopy/spectroscopy (STM/STS). Robust quantum well states (QWSs) are observed in Pb(111) islands and their oscillation with film thickness reveals the isolation of free electrons in Pb from the graphene substrate. The spectroscopic characteristics of QWSs are consistent with the band structure of a free-standing Pb(111) film. The weak interface coupling is further evidenced by the absence of superconductivity in graphene in close proximity to the superconducting Pb islands. Accordingly, the Pb(111) islands on graphene/Ge(110) are free-standing in nature, showing very weak electronic coupling to the substrate.     

Quantum-size effects in the electronic structure of low-dimensional metallic systems

By angle-resolved photoemission the electronic structure of quantum films of Mg, Ag, and Au has been compared on W(110) and Mo(110) substrates which are structurally and electronically very similar but differ in atomic number. In all cases, substrate-induced states with characteristic dispersions are observed in the region of a bulk band gap of the substrate. Based on the comparison between Mo and W, we can exclude that previously observed Mg states are spin-orbit split but observe a spin-orbit splitting in Ag and Au monolayers. This splitting is mainly caused by the substrate because it does not differ much between Ag and Au overlayers despite the large difference in atomic number.     

Spectra of quantum states in thin metal films and their modification: Al/W(110) system

The modification of spectra of quantum well states of sp-type in thin Al films on the W(110) surface was experimentally investigated by angular-resolved photoelectron spectroscopy both during deposition and in dependence of the detection angle. Quantum well states are observed for the partially filled band of valence states in the range of binding energies from 4.4 eV to the Fermi level. An Al film with a thickness of 11 monolayers exhibits a jump of the dispersion relations of quantum well states in the local W(110) band gap in the ΓS direction and splitting of these relations due to the effect of substrate electronic structure on the formed spectrum of quantum states and their possible spin polarization.     

Growth of Fe films on Rh(001): a photoemission study

The growth mode and electronic structures of Fe thin films, epitaxially grown on Rh(001), were studied by various photoemission measurements for the film thickness of 0–12 monolayers. By comparing the valence band structures obtained from the angle-resolved photoemission spectra and the theoretical band calculations for the bulk Fe, we concluded that the valence band structure of the Fe film resembles that of fcc(001) in the low coverage region and that of bcc(110) in the high coverage region. This transformation of the electronic structure is considered to be related to the thickness dependence of the interlayer spacing of the films.     

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.     

Influence of the substrate properties on the electronic structure of organic film-inorganic substrate interfaces

The structure of electronic states at the interfaces between perylene tetracarboxyldianhydride films and ZnO, Cu, GaAs, and InAs substrates is studied by the method of total current spectroscopy. It is found that the physicochemical properties of the substrate have a strong effect on the electronic state configuration in the substrate and film. On the basis of the experimental data, potential diagrams of the interfaces are constructed, which illustrate the formation of sharp and extended dipole layers, change in the charge state of surface levels, and modification of the electronic structure of the film.     

不同衬底和CdCl2退火对磁控溅射CdS薄膜性能的影响

在科宁7059玻璃, FTO, ITO, AZO四种衬底上磁控溅射CdS薄膜, 并在CdCl₂+干燥空气380 ℃退火, 分别研究了不同衬底和退火工艺对CdS薄膜形貌、结构和光学性能的影响. 扫描电子显微镜形貌表明: 不同衬底原位溅射CdS薄膜的形貌不同, 退火后相应CdS薄膜的晶粒度和表面粗糙度明显增大. XRD衍射图谱表明: 不同衬底原位溅射和退火CdS薄膜均为六角相和立方相的混相结构, 退火前后科宁7059玻璃, FTO, AZO衬底上CdS薄膜有 H(002)/C(111) 最强衍射峰, ITO衬底原位溅射CdS薄膜没有明显的最强衍射峰, 退火后出现 H(002)/(111) 最强衍射峰. 紫外-可见分光光度计分析表明: AZO, FTO, ITO, 科宁7059玻璃衬底CdS薄膜的可见光平均透过率依次减小, 退火后相应衬底CdS薄膜的可见光平均透过率增大, 光学吸收系数降低; 退火显著增大了不同衬底CdS薄膜的光学带隙. 分析得出: 上述结果是由于不同衬底类型和退火工艺对CdS多晶薄膜的形貌、结构和带尾态掺杂浓度改变的结果. 关键词： CdS薄膜 磁控溅射 退火再结晶 带尾态     

Magnetic Anisotropy Induced by Orbital Occupation States in La_(0.67)Sr_(0.33)MnO_3 Films

Interface engineering is an effective and feasible method to regulate the magnetic anisotropy of films by altering interfacial states between films.Using the technique of pulsed laser deposition,we prepared La_(0.67)Sr_(0.33)MnO_3(LSMO) and La_(0.67)Sr_(0.33)MnO_3/SrCoO_(2.5)(LSMO/SCO) films on(110)-oriented La_(0.3)Sr_(0.7)Al_(0.65)Ta_(0.35)O_3 substrates.By covering the SCO film above the LSMO film,we transformed the easy magnetization axis of LSMO from the [001] axis to the [110] axis in the film plane.Based on statistical analyses,we find that the corresponding Mn-Mn ionic distances are different in the two types of LSMO films,causing different distortions of Mn-O octahedron in LSMO.In addition,it also induces diverse electronic occupation states in Mn~(3+) ions.The eg electron of Mn~(3+)occupies 3 z~2-r~2 and x~2-y~2 orbitals in the LSMO and LSMO/SCO,respectively.We conclude that the electronic spin reorientation leads to the transformation of the easy magnetization axis in the LSMO films.     

Band structure of Au layers on the Ru(0001) and graphene/Ru(0001) surfaces

The electronic structures of Au monolayers on the Ru(0001) and graphene-coated Ru(0001) surfaces have been calculated by DFT method using the supercell (repeated-slab) approach. The local densities of states (LDOS) and band structures of the monolayer and bilayer Au films adsorbed on the graphene/Ru(0001) and those of free hexagonal Au layers are found to be very similar. This result indicates that the monolayer graphene almost completely screens the Au layers from the Ru(0001) substrate surface, so that electronic properties of Au films adsorbed on graphene are determined predominantly by the electronic structure of the Au adlayers, essentially independent on the electronic structure of the substrate surface.     

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.     

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.     

Synthesis,structure, and electrochemical properties of epitaxial perovskite La0.8Sr0.2CoO3 film on YSZ substrate

Epitaxial films of the perovskite, La_0.8Sr_0.2CoO₃ (LSC), for SOFCs cathode were deposited on yttria-stabilized zirconia (YSZ) single crystals by pulsed laser deposition method. The films were characterized by thin-film X-ray diffraction measurement, atomic force microscopy (AFM), transmission electron microscope (TEM), and ac impedance spectroscopy. The film orientations depend on the substrate planes. The LSC films on the YSZ (100) and (111) substrates showed the (110) orientation with different twin structures, while those on the YSZ (110) had (100) and (112) orientations. Surface morphology of the films also depends on the substrate orientations. These films showed different electrode properties depending on the orientations. The relationships between the properties, the film orientations, surface morphology, and lattice misfit are discussed.     

Photoelectron spectroscopy measurements of the valence band structures of polymerized thin films of C60 and La0.1C60

The electronic valence band structures of polymerized thin films of C₆₀ and La_0.1C₆₀ have been studied by using ultra-violet photoelectron spectroscopy. Additionally, the films have been characterized by using Raman spectroscopy, X-ray photoelectron spectroscopy, and X-ray diffraction. The valence band of the C₆₀ film shows major peaks at binding energies of 2.6, 7.2, 10.3, and 12.6 eV. In the case of the doped film, we observe (i) an additional peak with a binding energy of 13.7 eV, (ii) evidence for redistribution of the density of electronic states due to hybridization between the 5d orbitals of La and the C₆₀ cage, and (iii) significantly higher density of the electronic states near the Fermi energy. The valence band spectra of the doped film are in good agreement with recent results of the density functional theory that support strong hybridization between the d-valence orbitals of La and the C₆₀ cage.     

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.     

Electronic structure study of ultrathin Ag(111) films modified by a Si(111) substrate and √3 × √3-Ag2Bi surface

Angle-resolved photoemission spectroscopy experiments show that the electronic structure of a Ag(111) film grown on Si(111) is markedly perturbed by the formation of a √3 × √3-Ag(2)Bi Rashba-type surface alloy. Four spin-split surface states, with different band dispersions and energy contours, intercept and hybridize selectively with the sp-derived quantum well states of the Ag layer. Detailed two-dimensional band mapping of the system was carried out and constant energy contours at different energies result in hexagonal-, star- and flower-like distortions of the quantum well states as a result of various interactions. Further wavy-like modulations of the electronic structure of the film are found to originate from umklapp reflections of the Ag film states according to the surface periodicity.     

Electronic structures of the suboxide films formed on TiC(1 0 0) and ZrC(1 0 0) surfaces: Density functional theory studies

Density functional theory (DFT) calculations have been performed to elucidate the electronic structures of the TiO-like film on TiC(1 0 0) and the ZrO-like film on ZrC(1 0 0), which are assumed to be monolayers of suboxide films with (1 × 1) periodicity with respect to the substrate (1 0 0) surfaces. It was revealed that the electronic structures of both films were characterized by the existence of a band around 6 eV and a band around the Fermi level. The former and latter bands were mostly composed of O 2p and metal d orbitals, respectively, indicating the substantial ionic nature of the film. The calculated DOS well reproduced the previously obtained photoelectron spectra. From the inspection of the optimized structures, it was found that the both suboxide films have rippled structures; the metal and oxygen atoms are displaced vertically downward and upward, respectively, maintaining the (1 × 1) structures.     

Strain relaxation of CdTe films growing on lattice-mismatched substrates

We have deposited CdTe films by laser-assisted epitaxy approach and investigated the influence of substrate and film thickness on the film properties. Grown on Si(001), GaAs(001), and quartz substrates; the CdTe films exhibit preferential orientation along the cubic CdTe(111) direction. When the films are thin (<500 nm), a blueshift of the band gap and splitting of valence bands were observed. These results are attributed to the existence of residual strains induced by mismatch of the film lattice constant with that of the substrate, and by their difference in thermal expansion coefficients. The bulk band-gap energy of 1.5 eV was achieved on the surface of thick CdTe films grown on Si(001) substrate, indicating that strain was almost completely relaxed in this case. Our results demonstrate that by a proper selection of substrate and film thickness it is possible to grow film semiconductors with band gap approaching those of bulk crystals.     

氧空位对ZnO基(110)二维膜材料电子结构的影响研究

在密度泛函理论方法的基础上,系统研究了本征氧化锌和氧空位氧化锌的(110)二维膜材料的形成和电子结构性质.计算分析结果表明,ZnO的本征(110)二维膜比氧空位的(110)二维膜稳定性高,ZnO的(110)二维膜有失去氧的倾向.本征ZnO的(110)膜为直接带隙型材料,带隙宽度为2.3 eV,氧空位(110)膜为间接带隙型材料,带隙宽度为1.877 eV.氧空位的(110)膜导带向下移动,并且导带中的能级简并化.氧空位(110)膜材料的导带底能级有2个能谷,分别位于1.877 eV和1.88 eV,这些位置的能级有效质量比本征膜大幅度增大,这些位置的电子速度普遍较低. ZnO的(110)膜产生氧空位之后,Zn的s电子参与形成其价带顶能级.氧空位(110)膜材料中Zn-O键的混合型结合倾向增大.     

The electronic structure of the interface between thin conjugated oligomer films and inorganic substrates with different work function

In this work, a comparison of the interfacial electronic properties between a semiconducting oligomer and a variety of substrates with different properties—metal, semiconductor and oxide layers—is reported. The interface formation was studied by X-ray and Ultraviolet photoelectron spectroscopies (XPS, UPS). High purity oligomer films with thickness up to 10 nm were prepared by stepwise evaporation on the clean substrates under ultrahigh vacuum (UHV) conditions. Analysis of the oligomer and substrate related XPS spectra clarified the interfacial chemistry and band bending in the semiconducting materials. The valence band structure and the interfacial dipoles were determined by UPS. The barriers for hole injection were measured at the interfaces of the organic film with all substrates. The interfacial energy band diagrams were deduced in all cases from the combination of XPS and UPS results. Emphasis was given on the influence of the substrate work function (eΦ) on the electronic properties of these interfaces.