Evidence for a strong surface-plasmon resonance on ErAs nanoparticles in GaAs

Room-temperature attenuation measurements are made between lambda=0.8 and 10.0 microm on three GaAs epitaxial samples containing layers of ErAs nanoparticles. An asymmetric attenuation peak is observed around 2.5 microm that increases in strength with ErAs density, and is modeled well by a Maxwell-Garnett formulation and semiclassical transport theory. The nanoparticles are assigned a distribution function of oblate spheroids having a minimum volume corresponding to a 1.0-nm sphere. This is consistent with the self-organizing tendency of ErAs in GaAs, and explains the sharp attenuation peak as a spherical-particle surface-plasmon (i.e., Fr?hlich) resonance.     

Interpretation of orientational contrast in STM images of GaAs(1 1 0) cleavage surface

The electronic structure of GaAs(1 1 0) surface is analyzed using Density Functional Theory (DFT-GGA) in atomic orbital basis (LCAO). The surface orbitals and the corresponding local density of electronic states (LDOS) are calculated for purposes of interpreting STM images. We show how local atomic orbitals of surface atoms are related to tunneling channels for electrons in STM imaging. A destructive interference between orbitals of two neighbouring atoms increases the contrast between the two atoms, and this is reflected in directionality of STM patterns of GaAs(1 1 0) surfaces. We also discuss how the basic formalism of Tersoff-Hamann approach to STM simulation can be reformulated to reveal the role of phase difference between tunneling channels.     

Electronic structure of Ge-GaAs(111) and (111) interfaces

The interface states of Ge-GaAs(111) and ($\text{111}$) heterojunctions are calculated by applying extended Hückel theory to a superlattice with alternating Ge and GaAs atomic layers. The band-edge discontinuity, interface bands, and local densities of states are presented. It is found that no interface states are revealed in the fundamental gaps of Ge and GaAs and that there is an appreciable difference in electronic structure between both kinds of interface.     

Computer simulation study on the atomistic and electronic structures of semiconductor heterostructures

The atomic and electronic structures of semiconductor heterostructures are investigated by using the tight-binding (TB) electronic theory, taking into account the realistic atomic irregularities, such as steps and misfit dislocations at the interface. Particular attention has been paid to the 1/2〈110〉(001) misfit dislocation of the wide gap II-VI semiconductor heterostructures, like ZnSe/GaAs(001) systems. It is shown that steps at the interface do not produce deep gap states, but they influence significantly the deep states associated with the misfit dislocations. The stability and degradation of II-VI semiconductor heterostructures are discussed in terms of the introduction of the misfit dislocations.     

Charging effects of ErAs islands embedded in AlGaAs heterostructures

Self-assembled ErAs islands were grown on GaAs between a two-dimensional electron gas (2DEG) and a backgate electrode by molecular-beam epitaxy. The islands have overlapping Schottky barriers that form an insulating potential barrier. A TiAu topgate was added by shadow mask evaporation. Thermal activation and charging experiments were employed to gain insight into the electronic properties of the ErAs island systems. In addition the 2DEG was characterized as a function of topgate and backgate voltage.     

Multiband tight-binding model of local magnetism in Ga1-xMnxAs

We present the spin and orbitally resolved local density of states (LDOS) for a single Mn impurity and for two nearby Mn impurities in GaAs. The GaAs host is described by a sp(3) tight-binding Hamiltonian, and the Mn impurity is described by a local p-d hybridization and on-site potential. Local spin-polarized resonances within the valence bands significantly enhance the LDOS near the band edge. For two nearby parallel Mn moments the acceptor states hybridize and split in energy. Thus scanning tunneling spectroscopy can directly measure the Mn-Mn interaction as a function of distance.     

Local density of states and order parameter configurations in layered ferromagnet-superconductor structures

We analyze the local density of states (LDOS) of heterostructures consisting of alternating ferromagnet, F, and superconductor, S, layers. We consider structures of the SFS and SFSFSFS type, with thin nanometer scale F and S layers, within the ballistic regime. The spin-splitting effects of the ferromagnet and the mutual coupling between the S regions, yield several nontrivial stable and metastable pair amplitude configurations, and we find that the details of the spatial behavior of the pair amplitude govern the calculated electronic spectra. These are reflected in discernible signatures of the LDOS. The roles that the magnetic exchange energy, interface scattering strength, and the Fermi wavevector mismatch each have on the LDOS for the different allowed junction configurations, are systematically investigated.     

Imaging of Friedel oscillation patterns of two-dimensionally accumulated electrons at epitaxially grown InAs(111) A surfaces

The local density of states (LDOS) at the epitaxially grown InAs surface on a GaAs(111) A substrate were characterized using low-temperature scanning tunneling microscopy. Using dI/dV signal mapping, LDOS standing waves were clearly imaged at point defects and within nanostructures. Measurement of the wavelength as a function of bias voltage showed a nonparabolic dispersion relation for the conduction band. The observed wave features originate from the Friedel oscillations of the two-dimensional electron gas in the semiconductor surface accumulation layer.     

A theoretical study on the electronic structure of GaAs/AlAs and AlAs/GaAs core/shell nanoparticles

Results of theoretical investigation on the structural and electronic properties of GaAs/AlAs and AlAs/GaAs core/shell nanoparticles are presented. We have considered relaxed structures of essentially spherical parts of the zinc-blende crystal structure. The electronic properties and the total energy were calculated using density-functional tight-binding method. Our results include the charge distribution, density of states (DOSs), electronic energy levels (in particular HOMO and LUMO), HOMO-LUMO gap, excitation spectra and their variation with shell thickness for both GaAs/AlAs and AlAs/GaAs core/shell systems.     

Ultrafast optical switching of terahertz metamaterials fabricated on ErAs/GaAs nanoisland superlattices

We demonstrate optical switching of electrically resonant terahertz planar metamaterials fabricated on ErAs/GaAs nanoisland superlattice substrates. Photoexcited charge carriers in the superlattice shunt the capacitive regions of the constituent elements, thereby modulating the resonant response of the metamaterials. A switching recovery time of 20 ps results from fast carrier recombination in the ErAs/GaAs superlattice substrates.     

Spatial imaging of two-dimensional electronic states in semiconductor quantum wells

We measure the spatial distribution of the local density of states (LDOS) at cleaved surfaces of InAs/GaSb isolated quantum wells and double quantum wells (DQWs) by low-temperature scanning tunneling spectroscopy. Distinct standing wave patterns of LDOS corresponding to subbands are observed. These LDOS patterns and subband energies agree remarkably well with simple calculations with tip-induced band bending. Furthermore, for the DQWs, coupling of electronic states between the quantum wells is also clearly observed.     

A First-Principles Investigation of the Structural and Magnetic Stability of Fe/GaAs(001)

The electronic properties of the interface of Fe/GaAs(001) have been investigated by using first-principles and molecular-dynamics techniques. While the ground state is ferromagnetic for all structures considered, a ferrimagnetic spin structure is found to be very close in energy (<1 meV). The observed lowering of the magnetic moments when relaxing the atomic positions is believed to be connected to this close in energy lying metamagnetic state. On the other hand, the magnetic moments of the Fe atoms at the interface are large, which can be explained by the bulk-like behavior of the density ot states of interface atoms.     

Atomic reconstructions and electronic states on the GaAs(001) surface with the adsorbed Sb and Cs layers

In experiments on the adsorption and thermal desorption of Cs on GaAs(001) surfaces with various atomic reconstructions and compositions including those enriched in the cation (gallium) and in the anions (arsenic and antimony), the correlation in the behavior of the atomic structure and the surface electronic states, which determine the band bending, has been established. The cesium adsorption on the anion-rich surfaces results in both the similar disordering of the atomic structure and in the close dose dependences of the band bending, while the adsorption on the Ga-rich surface is ordered and results in the qualitatively different dose dependence, which has several maxima and minima. In the Cs desorption and the subsequent adsorption-desorption cycles, the stabilizing effect of Sb on the atomic structure and the electronic states of the Cs/Sb/GaAs(001) surface has been revealed.     

ZnSe/GaAs(100)界面电子结构的计算

利用形式散射理论的格林函数方法，采用紧束缚最近邻近似下的sp³s模型，计算了ZnSe/GaAs(100)两类界面(Se/Ga和As/Zn界面)的电子结构.分别给出了两类界面的界面带结构和波矢分辨的层态密度及其分波态密度.计算结构表明，在ZnSe/GaAs(100)两类界面的禁带隙中均无界面态，而在其价带区均存在三条束缚的界面带和四条半共振带；通过比较，分析了两类界面的界面态特征及其来源. 关键词：     

扫描隧道显微术中的微分谱学及其应用

文章介绍了扫描隧道显微术中微分谱学的原理及其在实验中的诸多应用。微分谱（dI／dV谱）和dI／dV成像可用来研究电子局域态密度在能量和空间的分布，即微分谱固定空间一点，反映电子态密度以能量为变量的分布；而dI／dV图像则反映某给定能量的电子局域态密度以空间为变量的分布，二次微分谱（d^2I／dV^2谱）和二次微分成像可以用来反映分子的非弹性隧穿过程，从而研究分子的振动态。     

First-principles study of interface relaxation effect on interface and electronic structures of InAs/GaSb superlattices with different interface types

We have implemented first-principles relativistic pseudopotential calculations within general gradient approximation to investigate the structural and electronic properties of quaternary InAs/GaSb superlattices with an InSb or GaAs type of interface. Because of the complexity and low symmetry of the quaternary interfaces, the interface energy and strain in the InAs/GaSb superlattice system have been calculated to determine the equilibrium interface structural parameters. The band structures of InAs/GaSb superlattices with InSb and GaAs interfaces have been calculated with respect to the lattice constant and atomic position relaxations of the superlattice interfaces. The calculation of the relativistic Hartree–Fock pseudopotential in local density approximation has also been performed to verify the calculated band structure results that have been predicted in other empirical theories. The calculated band structures of InAs/GaSb superlattices with different types of interface (InSb or GaAs) have been systematically compared. We find that the virtual–crystal approximation fails to properly describe the quaternary InAs/GaSb superlattice system, and the chemical bonding and ionicity of anion atoms are essential in determining the interface and electronic structures of InAs/GaSb superlattice system.     

Surface state control of III–V semiconductors using molecular modification

An attempt to control surface electronics of III–V semiconductor using wet chemical processes has been performed. Here, we report results on the use of self-assembled monolayers (SAMs) of organic molecules on (0 0 1) GaAs surface. Octadecanethiol (ODT) and benzenethiol (BT) have been the choice in the present study.GaAs wafers were modified by thiol molecules on the flat surface after the native oxide layers are removed by chemical etching under optimized conditions. The change in the electronic properties was measured in terms of transport properties via the SAM layer by conductive probe atomic force microscopy. The current–voltage characteristics thus obtained show that ODT functions as a tunnel barrier while BT is conductive due to the presence of π-electrons. As a result, we can control the electronic states of GaAs–molecule interface for realizing novel device structures by the selection of functional molecules.     

Electronic structure of GaxIn1-xAsySb1-y quaternary alloy by recursion method

Summary  This work reports the electronic structure of GaInAsSb quaternary alloy by recursion method. A five-orbital sp₃s^* per atom model was used in the tight-binding representation of the Hamiltonian. The local density of states (LDOS), integrated density of states (IDOS) and structural energy (ST.E) were calculated for Ga, In, As and Sb sites in Ga_0.5 In_0.5 As_0.5 Sb_0.5 and GaInAsSb lattice matched to GaAs and the same alloy lattice matched to GaSb. There are 216 atoms in our cluster arranged in a zincblend structure. The results are in good agreement with available information about the alloy.     

Electronic structure at the PTCDA/GaAs and NTCDA/GaAs interfaces

The formation of the interface between the GaAs(100) single-crystal surface and PTCDA and NTCDA organic semiconductors is investigated. The method of total current spectroscopy makes it possible to trace the formation of the interfacial electronic structure. The two organic materials and the GaAs substrate are bonded together when the π electron cloud of an aromatic ring spreads toward the substrate. This modifies the electronic states of interfacial organic molecules and generates a dipole at the interface.     

第一原理研究界面弛豫对InAs/GaSb超晶格界面结构、能带结构和光学性质的影响

通过广义梯度近似的第一原理全电子相对论计算, 研究了不同界面类型InAs/GaSb超晶格的界面结构、电子和光吸收特性. 由于四原子界面的复杂性和低对称性, 通过对InAs/GaSb超晶格进行电子总能量和应力最小化来确定弛豫界面的结构参数. 计算了InSb, GaAs型界面和非特殊界面(二者交替)超晶格的能带结构和光吸收谱, 考察了超晶格界面层原子发生弛豫的影响.为了证实能带结构的计算结果, 用局域密度近似和Hartree-Fock泛函的平面波方法进行了计算. 对不同界面类型InAs/GaSb超晶格的能带结构计算结果进行了比较, 发现界面Sb原子的化学键和离子性对InAs/GaSb超晶格的界面结构、 能带结构和光学特性起着至关重要的作用.