InSb(110)表面S,O原子吸附的第一性原理研究

基于第一性原理方法, 采用广义梯度近似的交换关联势, 对InSb材料(110)表面的硫吸附和氧吸附之后体系性质的差异进行了分析. 讨论了两种吸附下的键长、键角、能带结构和态密度的变化, 从理论上论证了硫吸附比氧吸附对InSb红外探测器表面态的钝化有优越性, 有利于工艺上在钝化时的选择. 关键词： 第一性原理 InSb 硫吸附 氧吸附     

Electronic structure of ideal and relaxed InSb(110) surfaces

We report electronic structure calculations for the ideal and relaxed InSb (110) surfaces which were carried out using the tight binding scattering theoretic method. The bulk material is described by a realistic ETBM Hamiltonian and spin-orbit coupling has been taken into account explicitly. Our results show, that the spin-orbit interaction has only small influence on the surface electronic structure of InSb(110). Our results are discussed in terms of surface band structures, wavevector-resolved layer densities of states and angular-resolved weighted layer densities of states.     

Photoemission studies of H2S,H2 and S adsorbed on Ru(110): Evidence for an adsorbed SH species

H₂S, H₂ and S adsorbed on Ru(110) have been studied by angle-integrated ultraviolet photoemission (UPS) as part of a study of the effect of adsorbed sulfur, a common catalytic poison, on this Ru surface. For low exposures of H₂S at 80 K, the work function rises to a value 0.16 eV above that of clean Ru(110) while the associated UPS spectra (hν = 21.2 eV) exhibit features similar to those of H(ads) and S(ads) and different from those of molecular H₂S. We conclude that H₂S dissociates completely at low coverages on Ru(110) at 80 K. At intermediate exposures the work function drops and the UPS spectra show new features which are attributed to the presence of an adsorbed SH species. This appears to be the first direct observation of this surface complex. At higher exposures the work function saturates at a value 0.36 eV below the clean value; the UPS spectra change markedly and indicate the adsorption of molecular H₂S. Heating adsorbed H₂S leaves a stable layer of S(ads) on Ru(110). The surface with adsorbed sulfur strongly modifies the adsorption at 80 K of a number of molecules relative to the clean Ru(110) surface.     

Rotational epitaxy of a hexagonal layered material on a square substrate: PbI2 on InSb(001)

PbI₂ has been adsorbed on the clean InSb(001)-(4 × 1) reconstructed surface and on the InSb(001)-(1 × 3)-Pb lead covered reconstructed surface. On the clean surface epitaxial growth occurred with the unit mesh of the layered PbI₂ aligning exactly with both the substrate [110] and [1 0] directions. On desorption a reaction occurred between the last layer of PbI₂, and the substrate, forming a series of structures which finished with a well-formed (1 × 3)-Pb structure in which the surface is depleted/enriched in In/Sb compared to the clean (4 × 1). The Pb in this structure is thought to partially replace surface In. Epitaxial adsorption also occurred on the (1 × 3)-Pb surface generating a single, well-formed structure with the hexagonal net of the PbI₂ aligned with just the [1 0] substrate direction. The structures and reactions are discussed and a row matching model is proposed to explain the single epitaxial orientation of PbI₂ on the (1 × 3)-Pb surface.     

低温凝聚InSb膜相变过程中的结构及其超导电性

本文研究了低温凝聚LnSb膜相变过程中的结构变化及其对超导电性的影响,由X射线衍射分析发现一系列新结果,从而解释了低温凝聚InSb膜相变过程中的电导及相应的T_c本文指出对应于第二电导峰值的T_c是六方晶系(InSb)H的层状导电机制所致。 关键词：     

缓冲层对InSb/GaAs薄膜质量的影响

InSb是制作3~5μm红外探测器的重要材料。在GaAs衬底上外延生长InSb,存在的主要问题在于两种材料间14.6%的晶格失配度,会引入较大的表面粗糙度以及位错密度,使外延材料的结构和电学性能均会受到不同程度的影响。通过系列实验,研究了在生长过程中缓冲层对薄膜质量的影响。利用高能电子衍射仪(RHHEED)得到了合适的生长速率和Ⅴ/Ⅲ比,研究了异质外延InSb薄膜生长中低温InSb缓冲层对材料生长质量以及不同外延厚度对材料电学性质的影响。采用原子力显微镜(AFM)、透射电子显微镜(TEM)、X射线双晶衍射(DCXRD)等方法研究了InSb/GaAs薄膜的表面形貌、界面特性以及结晶质量。通过生长合适厚度的缓冲层,获得了室温下DCXRD半高峰宽为172″,77 K下迁移率为64300 cm²·V^-1·s^-1的InSb外延层。     

On the adsorption of oxygen on the Mo{110} surface and its vicinals

The adsorption of oxygen on a Mo{110} surface and four vicinal planes with steps parallel to 〈100〉, 〈110〉 and 〈111〉 directions, is studied by Auger electron spectroscopy (AES) and low energy electron diffraction (LEED). The work has the goal to elucidate whether O adsorption on Mo{110} is really as different from O adsorption on W{110} as reported, and what is the cause of the apparent discrepancies between the various reported sticking coefficients on stepped surfaces.     

Structure analysis of an oxidized nickel (110) surface using low energy ion scattering

Low energy (6 keV) argon and neon ion scattering in the low angle mode (θ = 30°) has been used to investigate changes in the surface structure of a Ni(110) surface caused by the adsorption of oxygen at low exposures (10^?6 Torr s). The experimental energy spectra indicate that due to adsorption of oxygen, the interatomic distance in the 〈1̄10〉 direction increases while in the 〈001̄〉 direction this distance seems to decrease. This represents strong evidence that a reconstruction process is taking place during the early stages of oxidation of the Ni(110) face, in which the interatomic distances in the 〈1̄10〉 direction doubles. The oxygen atoms were found to lie in or close to the nickel 〈001̄〉 rows. These results are not in agreement with recently published dynamical LEED calculations.     

Surface morphology of highly mismatched InSb films grown on GaAs substrates by molecular beam epitaxy

InSb films on GaAs(001) substrates with and without GaAs buffer layer have been grown by molecular beam epitaxy. Rather than surface undulations, aligned ripples and pyramidal hillocks along the orthogonal 〈110〉 directions were observed on the surface of InSb films. Both the preferential growth and the termination of ripples were proved to be related to strain‐driven mass transport. A model was proposed to elucidate the formation of the hillocks, which are more efficient to relax strain than ripples. Due to the strain relaxation through hillocks with small bases predominantly, the surfaces of the InSb films grown without a GaAs buffer layer are smoother than those of films grown with a GaAs buffer layer. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Interface effect on superlattice quality and optical properties of InAs/GaSb type-II superlattices grown by molecular beam epitaxy

We systematically investigate the influence of InSb interface (IF) engineering on the crystal quality and optical properties of strain-balanced InAs/GaSb type-II superlattices (T2SLs). The type-II superlattice structure is 120 periods InAs (8 ML)/GaSb (6 ML) with different thicknesses of InSb interface grown by molecular beam epitaxy (MBE). The high-resolution x-ray diffraction (XRD) curves display sharp satellite peaks, and the narrow full width at half maximum (FWHM) of the 0th is only 30-39 arcsec. From high-resolution cross-sectional transmission electron microscopy (HRTEM) characterization, the InSb heterointerfaces and the clear spatial separation between the InAs and GaSb layers can be more intuitively distinguished. As the InSb interface thickness increases, the compressive strain increases, and the surface "bright spots" appear to be more apparent from the atomic force microscopy (AFM) results. Also, photoluminescence (PL) measurements verify that, with the increase in the strain, the bandgap of the superlattice narrows. By optimizing the InSb interface, a high-quality crystal with a well-defined surface and interface is obtained with a PL wavelength of 4.78 μ, which can be used for mid-wave infrared (MWIR) detection.     

Active sites of adsorption on cleaved and sputtered indium phosphide surfaces

From the initial uptake of atomic hydrogen at room temperature the active sites on cleaved and sputtered InP(110)-surfaces were determined using high resolution electron energy loss spectroscopy (HREELS), low energy electron diffraction (LEED) and x-ray photoelectron spectroscopy (XPS, XAES). It is found that the In-H stretching mode intensity is dominant for the cleavage surface, which is known to be P-rich due to surface relaxation. For the Ar⁺-ion bombarded surface (In-rich) the P–H stretching mode is very strong if compared to the corresponding In-H mode. From these observations it may be deduced that both, the chemical bonding situation and the geometric configuration, are reflected in our HREELS-results. For the cleavage surface the initial adsorption for atomic hydrogen is interpreted in the framework of existing models for the (1×1) relaxation in terms of its chemical bonding configuration. The sputtered surface is assumed to be amorphous consisting of In-clusters and predominantly broken P-bonds, which are passivated after hydrogen exposure. For high hydrogen exposures, a strong decrease of the phosphor hydride lines may be interpreted as phosphine desorption.     

Investigation of InSb(1 1 0) and InSb(1 1 1) surfaces by means of target current (VLEED) spectroscopy and LEED

In this paper, we present experimental results of target current (TCS) and LEED investigation of well-oriented InSb(1 1 0) and InSb(1 1 1)-A and InSb(1 1 1)-B crystals. TCS results are interpreted in terms of very low electron diffraction (VLEED) and empty band signatures. To examine to which extent the TCS spectra reflect the bulk or surface electronic properties of InSb(1 1 0), thin layers of indium have been evaporated and the corresponding spectrum changes have been investigated.     

X-ray diffraction from the ripple structures created by femtosecond laser pulses

In this paper, we present the investigation and characterization of the laser-induced surface structure on an asymmetrically cut InSb crystal. We describe diffraction from the ripple surface and present a theoretical model that can be used to simulate X-ray energy scans. The asymmetrically cut InSb sample was irradiated with short-pulse radiation centred at 800 nm, with fluences ranging from 10 to 80 mJ/cm². The irradiated sample surface profile was investigated using optical and atomic force microscopy. We have investigated how laser-induced ripples influence the possibility of studying repetitive melting of solids using X-ray diffraction. The main effects arise from variations in local asymmetry angles, which reduce the attenuation length and increase the X-ray diffraction efficiency.     

Interaction of oxygen, carbon monoxide and nitrogen with (001) and (110) faces of molybdenum

A combination of low-energy electron diffraction and retarding potential measurements was employed to study gaseous adsorption on atomically clean (001) and (110) Mo single crystal surfaces. Adsorption of oxygen on the (001) surface at room temperature occurred with a sticking coefficient close to unity and produced a large increase in work function and appreciable changes in the intensity distributions of the integral order diffraction beams, without the appearance of any new diffraction beams. These results indicate that a surface monolayer of oxygen was formed with a unit mesh having the same dimensions as that of the underlying molybdenum surface. Exposures above 6 × 10⁻³ Torr-sec produced a uniform decrease in intensities, thus indicating a second monolayer with amorphous structure. On heating, two additional surface structures were observed, characterized by one-half and one-third order beams, respectively. A clean surface was obtained by heating above 1100 °C. An exposure of 1 to 7 × 10⁻⁷ Torr-sec of oxygen for the (110) face resulted in two types of patterns characteristic of lattices with one-quarter and one-half the surface density of the (110) Mo face, with an increased work function accompanying the latter pattern. Exposure of the clean surface at 400 to 800 °C produced similar patterns of enhanced intensities with no increase in work function. Possible models are discussed. It is concluded that place exchange models account for these results, as well as the one-half and one-third order structures on the (001) face, in a more satisfactory manner than adsorption above the surface. An exposure to 10⁻⁵ Torr-sec produced a monolayer coverage with a unit mesh similar to that of the molybdenum substrate. Additional exposure resulted in further amorphous adsorption. Adsorption of CO produced changes in the intensity distributions, with the appearance of no new maxima, for both (001) and (110) Mo surfaces. Nitrogen, at an exposure of 3 × 10⁻³ Torr-min did not adsorb on either the (001) or (110) Mo surface, but when dissociated by electron impact it adsorbed on both Mo surfaces with the same dimensions of unit mesh as those of the Mo substrates and with an increase in work function of 1.05 eV for the (001) and 0.05 eV for the (110) surface.     

(InSb/GaAs)-Au hybrid macro-structure prepared by flash evaporation

n-Type indium antimonide-Au hybrid macro-structure was successfully fabricated on p-GaAs substrate by a simple and economic flash evaporation technique. The elemental composition of the prepared InSb film was confirmed by energy dispersive X-ray spectroscopy microanalysis (EDX). The surface topography and crystal structure of the InSb film was characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD), respectively. The magnetoresistance of the prepared hybrid macro-structure was measured and discussed in terms of the model of current redistribution.     

熔体旋甩工艺对n型InSb化合物的微结构及热电性能的影响

采用新颖的熔体旋甩结合放电等离子烧结技术制备了单相InSb化合物,研究了熔体旋甩工艺对其微结构以及热电性能的影响. 结果表明,熔体旋甩得到的薄带自由面主要由300 nm—2 μm的小柱状晶组成,薄带接触面为非晶或精细纳米晶,薄带经烧结后得到了具有大量层状精细纳米结构的致密块体,尺寸约为40 nm. 与熔融+放电等离子体烧结制备样品相比,在测试温度范围内（300—700 K）,试样的电导率略有下降,但Seebeck系数显著增加,热导率和晶格热导率显著降低,室温下晶格热导率降低幅度约为106%,700 K下晶格热导率的降低幅度达1664%,熔融+熔体旋甩+放电等离子体烧结制备的InSb化合物试样在700 K时其最大ZT值达到049,与熔融+放电等离子体烧结试样相比提高了29%. 关键词： 熔体旋甩 n型InSb化合物 微结构 热电性能     

Fabrication of quantum dots on the InSb (110) surface

Using a scanning tunneling microscope, quantum dots with diameters of order 25 Å have been fabricated on the cleaved InSb (110) surface in UHV. Both In and Sb atoms were clearly resolved on the cleaved surface.     

Effect of Ga alloying on thermoelectric properties of InSb

As a potential thermoelectric (TE) material, the high lattice thermal conductivity and relatively low weighted mobility severely limit TE property optimization of InSb binary compound. In this paper, we substituted In of InSb with Ga and systematically investigated the effect of Ga alloying on the Seebeck coefficient, electrical conductivity and lattice thermal conductivity of InSb between 300 K and 770 K. We found that Ga alloying simultaneously reduced the lattice thermal conductivity and optimized the weighted mobility of InSb. The lattice thermal conductivity has been analyzed using Abeles model to gain more insight on the roles of Ga in In_1-xGa_xSb(x = 0, 0.1, 0.15, 0.2) solid solution. The synergetic effect of Ga alloying on the electron and phonon transport leads to a marked enhancement in TE potential of InSb. The dimensionless figures of merit of InSb and In_0.8Ga_0.2Sb reach, respectively, 0.54 and 0.52 at 770 K.     

Surface stress of Ni adlayers on W(110): the critical role of the surface atomic structure

Puzzling trends in surface stress have been reported experimentally for Ni/W(110) as a function of Ni coverage. In order to explain this behavior, we have performed a density-functional-theory study of the surface stress and atomic structure of the pseudomorphic and several different possible 1 × 7 configurations for this system. For the 1 × 7 phase, we predict a different, more regular atomic structure than previously proposed based on surface x-ray diffraction. At the same time, we reproduce the unexpected experimental change of surface stress between the pseudomorphic and 1 × 7 configuration along the crystallographic surface direction which does not undergo density changes. We show that the observed behavior in the surface stress is dominated by the effect of a change in Ni adsorption/coordination sites on the W(110) surface.     

Oxygen adsorption and oxide formation on Cr(100) and Cr(110) surfaces

The adsorption of oxygen on (100) and (110) clean chromium surfaces was studied by electron diffraction (LEED and RHEED) and scanning microscopy. The beginning of the oxidation process was investigated using LEED technique. The successive patterns, observed with increasing oxidizing atmosphere, allow us to propose an oxidation mechanism for these chromium surfaces. For both orientations, rhombohedral chromium oxide grows on the surface, as shown by RHEED diagrams. The behaviour of the two planes is markedly different: the oxide film is polycrystalline on the (100) surface, while the pseudo six-fold symmetry of the (110) plane permits a parallel oriented growth.