Electronic structure of the Ge/RbF/GaAs(100) heterostructure: LCAO calculations

The electronic structure of Ge/RbF/GaAs(100) system has been calculated using a slab model and the LCAO method. This system, with possible applications in microelectronics, is a model one with perfectly epitaxial interfaces, little is known however about their reactivity. In these calculations the reactive contacts were postulated and modelled. The obtained results, compared with those of trial calculations for similar non-interacting system, show the appearance of a rich spectrum of interface states at the contacts. They are compared with known experimental results and their possible effects are discussed.     

Low-energy electron energy-loss spectroscopy with Ge:GaAs (110) heterostructures

Electronic properties and chemical composition of Ge films grown by molecular beam epitaxy on GaAs (110) surfaces were studied in situ by electron energy-loss spectroscopy. The loss peaks involving core-level excitations proved that As atoms segregate at the surface of the growing film. The well known 20 eV loss peak of the clean GaAs (110) surface, being attributed to transitions from Ga(3d) to Frenkel-type excitons of dangling-bond surface states, was found to persist, slightly shifted to 19.7 eV, with the growing Ge (110) film. Since the Ga coverage amounts to below approximately 0.05 of a monolayer this transition seems to contain a strong intraatom contribution.     

Leed,auger, and electron energy loss studies of Ni epitaxially grown on Cu(100)

Nickel was epitaxially deposited onto a clean, flat Cu(100) surface. Low energy electron diffraction I(E) curves were recorded for 0.6, 1.1, and 2.7 monolayer (ML) Ni coverage. Multilayer relaxation was considered in theoretical calculations, which were compared with experiment by means of the R|ΔE| factor. The estimated relaxations of the first and second interlayer spacings are estimated to be − 2% and + 1.5% for clean Cu(100), − 2% and − 1.5% for 1 ML Ni coverage, relative to the bulk Cu interlayer spacing of 1.81 Å, and −1% and 0% for 3 ML Ni coverage, relative to the bulk Ni spacing of 1.76 Å. Decreasing the surface Debye temperature of the Ni layer to 268 K from the bulk value of 440 K improves the agreement between theory and experiment. The optimum inner potential values are − 9 and − 10 eV for clean Cu(100) and Ni on Cu(100), respectively. Auger electron spectroscopy was used to determine the thickness of the Ni films, and LEED indicates layer-by-layer growth until about 4 layers, when the LEED spots begin to spread, indicating island formation. Electron energy loss spectra were obtained with primary electron energies of 150 and 300 eV. The 3p core ionization transition was clearly observed after 0.5 ML Ni coverage. Peaks at 3.8 and 7.5 eV for clean Cu are ascribed to interband transitions, and shift to higher energy with Ni coverage. Peaks at 10 and 16 eV for clean Cu (ascribed to an interband transition and a surface plasmon, respectively) disappear with Ni coverage. Bulk plasmon peaks at 19 and 27 eV remain unshifted with Ni coverage. The effect of 0.9 and 1.3 ML Ni coverage of Cu(100) on the chemisorption of Co and oxygen was also studied. The behavior of the surface towards oxygen chemisorption was similar to that of the pure Ni surface. For a large exposure of oxygen (50 L and more) the EEL and Auger spectra are very similar to those observed for NiO. In the case of CO, for submonolayer Ni coverage, the surface shows a more Cu-like behavior, while for larger Ni coverage (a monolayer and more) there is a great similarity with the behavior of the pure Ni(100) surface.     

Reduced stretch vibration frequency for CO on Na covered Cu(100)

When Na is coadsorbed with CO on Cu(100), EELS show a peak at around 0.17 eV loss energy in addition to the peak at 0.26 eV which is characteristic of CO on Na-free Cu(100). The low energy peak is ascribed to CO molecules adsorbed near Na atoms. The appearance of both the shifted and unshifted loss peaks demonstrates the local nature of the alkali-CO interaction for the present system.     

Chemical characterization by XPS of Cu/Ge ohmic contacts to n-GaAs

Chemical composition of Cu/Ge layers deposited on a 1 μm thick n-type GaAs epitaxial layer (doped with Te to a concentration of 5 × 10¹⁸ cm⁻³) and its interface were examined ex situ by XPS combined with Ar⁺ sputtering. These measurements indicate a diffusion of Cu and Ge from the Cu/Ge layer towards GaAs and, also, an out-diffusion of Ga and As from the GaAs layer to the metallic films. The Auger parameter corrected Auger spectra and XPS spectra show only Cu and Ge metals in the in the Cu/Ge layer and in the interface.     

Self-consistent tight-binding total energy calculations: Application to GaAs/Si and ZnSe/GaAs (100) interfaces

Self-consistent tight-binding total energy calculations are performed for various models of GaAs/Si and ZnSe/GaAs (100) interfaces. A graded GaAs/Si interface with the first monolayer on substrate having 1 As atom per 3 Si atoms followed by a second monolayer with 3 Ga atoms per 1 Si atom and continued with 2 bulk-like As and Ga monolayers is found to be structurally more stable than other interfaces. The instability of the abrupt interface is driven by elastic rather than electrostatic forces. Similar results are obtained for the ZnSe/GaAs (100) interface. The graded interface with Ga atoms exchanged against Zn atoms is found to be energetically most stable. Strong macroscopic electric fields are found in the surface and interface regions for both the GaAs/Si and ZnSe/GaAs interfaces.     

The study of vicinal GaAs( 100) surfaces by PAX

The adsorption of xenon at low temperatures on both GaAs(100) and vicinal surfaces has been studied using ultraviolet photoemission spectroscopy. The Xe 5p peaks show a characteristic shift to lower binding energy with surface As-depletion. Additional weak emission features seen on the vicinal planes, shifted by around 0.45 eV to higher binding energy, are attributed to Xe adsorbed at the step sites on such surfaces.     

ELS study on initial oxidation of Ni(100) surfaces

Electron energy loss spectra of clean and oxygen-covered Ni(100) surfaces were observed with concomitant measurements of LEED, work function change, and Auger peak height ratio O(KL_{2, 3}L_{2, 3})/Ni(L_{2, 3}VV). The observed electronic transitions are interpreted on the basis of primary election energy dependence, and of comparison with the loss spectrum for a UHV-cleaved NiO(100) surface and optical data of Ni. The observed loss peaks at 9.1, 14, and 19 eV in the clean surface spectrum are ascribed to the bulk plasmon of the 4s electrons, the surface plasmon, and the bulk plasmon of the coupled 3d + 4s electrons, respectively, and the weak but sharp peak at 33 eV is tentatively attributed to the localized many-body effect in the final state. Three oxygen-derived peaks at 6.0, 8.0, and 10.3 eV in the low oxygen exposure region (?4 L) are ascribed to the O 2p(e) → Ni 3d, O 2p(a₁) → Ni 3d, and O 2p → Ni 4s transitions, respectively. In the high oxygen exposure region (?50 L), the spectra become quite similar to that of the UHV-cleaved NiO(100) surface. The oxidation process consistent with LEED, Auger peak height ratio and work function change measurements is discussed.     

K/GaAs(100)表面的氮化

K吸附层的存在能促进GaAs(100)表面在室温下的氮化.光电发射测量为此提供了证据.在将K/GaAs(100)暴露于纯氮以后，价带和芯能级谱均会出现显著变化：功函数有一定程度回升，价带谱中显露N2p峰，Ga2p和As2p芯能级谱中产生化学位移分量.就所研究的三种不同的K覆盖度(1/4，1/2和1ML)而言，1ML的那种显示了最强的促进作用. 关键词：     

THE ADSORPTION OF Ge ON GaAS(ll0)

In the present work, the chemisorption of Ge on GaAs(1lO) was studied by a cluster model using the charge self-consistent extended H ückel method (EHT) and the results thus obtained were compared with those derived from the experiments. It was shown from the calculation that after chemisorption, the substrate tends to relax back to the ideal unrelaxed state, after cleavage. The tilted angle of the As-Ga bond was reduced from the well khown 27° to 10°.The gap states which were driven into both the valence band and the conduction band due to relaxation will-be introduced into the gap after chemisorption. From the calculation of the total energy of the cluster, it was found that the Ge atom could bind to both Ga and As atoms although the binding of the latter was somewhat stronger. The gap states were derived from the p states of Ge and the s and p states of Ga and As atoms. The states will serve as donors and acceptors for p and n type materials respectively . From a comparison with the previous results concerning studies of group Ⅲ and Ⅴ metals on GaAs(110) surface, it seems that the change of surface relaxation after chemisorption might be the origin of gap states and the cause for Fermi level pinningr. The explanation was first put forward by Chen et al . from their experimental studies . The present calculation also gives the core shifts of Ga(3d) and As(3d) of the clean relaxation surfaces with respect to that of the bulk as well as the core shifts of Ga(3d) and As(3d) after the chemisorption of Ge atom. A chemisorption induced state which is attributed to a precursor state for a heterojunction interface state is also obtained at a binding energy near 7eV which is in fairly good agreement with the experimental result.     

Local probing of adsorbate electronic structure using soft X-ray emission; atomic nitrogen on Ni(100) and Cu(100)

The N 2p partial density of states of p4g-N/Ni(100) and c(2 × 2)-N/Cu(100) overlayers have been studied by soft X-ray emission spectroscopy (SXES) and comparisons with corresponding UV photoelectron spectra are made. Broad states (∼10 eV) are observed due to the hybridisation between the N 2p and the substrate 3d and 4sp bands. For both N/Cu and N/Ni the intensity stretches out to the Fermi level, where a prominent peak for N/Cu is observed. These states close to the Fermi level are interpreted as antibonding 2p-3d hybridised states. The higher occupancy of these states in N/Cu is expected due to the higher binding energy of the 3d band in Cu than in Ni. For a complete interpretation of the SXE spectra, especially for N/Cu where many features are observed, further theoretical studies are required.     

Selective photon-stimulated desorption of hydrogen from GaAs surfaces

Photon-stimulated desorption of H(+) from hydrogenated GaAs (110) and (100) surfaces was studied as a function of photon energy. Distinct peaks, observed around As 3d core-level binding energy for desorption from the GaAs (100) surface and in the As 3d and Ga 3p region for desorption from the GaAs (110) surface, show a striking similarity with the fine structure (spin-orbit splitting) measured in the photoemission from As 3d and Ga 3p levels. These results provide clear evidence for direct desorption processes and represent a basis for selective modification of hydrogenated GaAs surfaces.     

α-P/GaAs(100)界面的光电子能谱研究

本文采用X射线光电子能谱、紫外光电子能谱和低能电子衍射对室温下P在GaAs(100)表面上的生长进行了研究。结果表明,在生长初期P是成团吸附的,随着淀积量的增加而生长成α-P薄膜,该薄膜的价带结构与等离子体淀积的α-P:H薄膜的价带结构相似。在界面处有约一单层的P与衬底表面的Ga成键。α-P覆盖层使GaAs表面势垒下降约0.2eV。 关键词：     

The electronic properties of the Cs/GaAs(100) interface and the formation of metastable Cs clusters

The method of threshold photoemission spectroscopy is used to investigate the electronic properties of the ultrafine gallium-enriched Cs/GaAs(100) interface. The rearrangement of the spectrum of surface photo-emission as a function of Cs coating, as well as the temperature dependence of the spectrum, enable one to identify two phases of adsorption with strong (Cs-Ga) and weak (Cs-Cs) bonds. In the first phase of adsorption with the coating of approximately 0.3 monolayers, two surface bands are detected which are due to the local interaction of cesium adatoms with gallium dimers. It is found that the transition from the first to the second phase of adsorption occurs with the Cs coating of approximately 0.7 monolayers, which corresponds to the saturation of all dangling bonds of gallium on the gallium-enriched GaAs(100) surface. In the second phase of adsorption with the coating of more than 0.7 monolayers, a number of additional photoemission singularities are observed in the spectra, whose emergence is associated with the formation of metastable Cs formations. Photoemission peaks at 1.9 and 2.17 eV may be associated with the excitation of quasi-two-and/or quasi-three-dimensional Cs clusters, and the peaks at 2.05, 2.4, and 2.78 eV may be associated with the excitation of an interface plasmon and of surface and bulk Cs plasmons, respectively.     

Adsorption of 1,3,5-Triphenylbenzene Molecules and Growth of Graphene Nanoflakes on Cu(100) Surface

Adsorption of 1,3,5-triphenylbenzene(TPB) molecules on Cu( 100) surface is studied using ultraviolet photoelectron spectroscopy(UPS) and density functional theory(DFT) calculations. Researches on the bottom-up fabrication of graphene nanoflakes(GNFs) with TPB as a precursor on the Cu(100) surface are carried out based on UPS and DFT calculations. Three emission features d, e and f originating from the TPB molecules are located at 3.095, 7.326 and 9.349 eV below the Fermi level, respectively. With the increase of TPB coverage on the Cu(100) substrate, the work function decreases due to the formation of inter facial dipoles and charge(electron)rearrangement at the TPB/Cu(100) interface. Upon the formation of GNFs, five emission characteristic peaks of g, h, i, j and k originating from the GNFs are located at 1.100, 3.529, 6.984, 8.465 and 9.606 eV below the Fermi level, respectively. Angle resolved ultraviolet photoelectron spectroscopy(ARUPS) and DFT calculations indicate that TPB molecules adopt a lying-down configuration with their molecular plane nearly parallel to the Cu(100) substrate at the monolayer stage. At the same time, the lying-down configuration for the GNFs on the Cu(100) surface is also unveiled by ARUPS and DFT calculations.     

GaAs(100)表面硫钝化的新方法:CH3CSNH2/NH4OH处理

建立了一种硫钝化GaAs(100)表面的新方法,即CH₃CSNH₂/NH₄OH溶液处理,应用同步辐射光电子能谱(SRPES)和X射线光电子能谱(XPS)表征了该钝化液处理的n-GaAs(100)表面的成键,特性和电子态.结果表明,经过处理的n-GaAs(100)表面,S既与As成键也与Ga成键,形成S与GaAs的新界面,并且Ga和As的氧化物被移走,这标志着CH₃CSNH₂/NH_{4关键词：}     

Atomic diffusion in annealed Cu/SiO2/Si（100） system prepared by magnetron sputtering

Cu thin films are deposited on p-type Si (100) substrates by magnetron sputtering at room temperature. The inter-face reaction and atomic diffusion of Cu/SiO2/Si (100) systems are studied by x-ray diffraction (XRD) and Rutherford backscattering spectrometry (RBS). Some significant results can be obtained. The onset temperature of interdiffusion for Cu/SiO2/Si(100) is 350 C. With the annealing temperature increasing, the interdiffusion becomes more apparent. The calculated diffusion activation energy is about 0.91 eV. For the Cu/SiO2/Si (100) systems copper silicides are not formed below an annealing temperature of 350 C. The formation of the copper silicides phase is observed when the annealing temperature arrives at 450 C.     

Angular dependence of the in-plane magnetization of (100) Cu/Ni/Cu structures

(100) Cu/Ni/Cu sandwich structures have been deposited on (100) Si using the (100) Cu epitaxially grown as the seed layer. The in-plane epitaxial relation between the metal films and Si allows the study of angular dependence of the magnetization for the field parallel to the film plane. Keeping the Cu layers at 1000 Å each and varying the Ni layers between 50 and 1000 Å, the magnetization along the [110] edge is larger than that along the [100] one. This is observed for both structures with a Ni thickness of 1000 and 500 Å, respectively. For the thinner Ni layers, the angular dependence is interfered by the reversal in magnetic anisotropy reported earlier. For such structures, a squared hysteresis loop is observed for the field perpendicular to the film plane, whereas one with little loop is observed for the in-plane magnetization. The angular dependence observed for the 1000 and 500 Å Ni films is the same as that of single crystal Ni. The (100) Cu/Ni/Cu films thus grown can be used for other magnetic measurements in the exploration of two-dimensional magnetism with controlled orientations.     

An investigation of metal/GaAs(100) interfaces by deep level transient spectroscopy

In this work we investigate the ability of DLTS to detect the presence of interface states at metal/GaAs(100) (n-type) interfaces where the semiconductor surface has been prepared by two different procedures. A correlation is observed between the magnitude of the ideality parameter determined from the current-voltage (I-V) characteristic of the diode and presence in the DLTS spectrum of a feature attributable to interface states. Schottky diodes have been fabricated with both gold and iron contacts which exhibit near ideal behaviour (n<1.1). No interface states were detected by DLTS on either of these diodes. However, diodes fabricated on oxidised GaAs surfaces, with higher idealities (1.5 <n < 2), exhibit additional electron trap levels in the DLTS spectrum. For the case of iron, a deep level of activation energy 0.55 eV is observed in the conventional reverse bias pulse sequence mode of DLTS operation. In addition, for both gold and iron diodes, a spectral feature which can be attributed to a broad distribution of interface states within the deplation region is observed during a forward bias pulse sequence.     

纳米Cu3N薄膜的制备与性能

采用柱状靶多弧直流磁控溅射法，100℃基底温度下在玻璃衬底上制备了纳米氮化铜(Cu3₃N)薄膜.用x射线衍射研究了不同氮气分压对Cu3₃N薄膜晶体结构 及晶粒尺寸的影响.结果显 示薄膜由Cu3₃N和Cu的纳米微晶复合而成，其中Cu3₃N纳米微晶具有 立方反ReO3₃结构.通 过原子力显微镜对薄膜表征显示，膜表面比较光滑，具有较低的粗糙度.x射线光电子能谱对 薄膜表面的成分分析表明，Cu3 _{关键词： 氮化铜薄膜 多弧直流磁控溅射 3}结构')" href="#">立方反ReO3₃结构