Charge accumulation layers and surface states in ultrathin Cs,Ba/n-GaN(0001) interfaces

It is found that ultrathin cesium and barium coatings radically change the electronic properties of the surface and the near-surface region of epitaxial n-GaN(0001) layers. A charge accumulation layer serving as a quasi-two-dimensional electronic channel is first formed by adsorption on the surface of a semiconductor. It is revealed that photoemission from the accumulation layer is excited by visible light from the transparency region of GaN and is characterized by a high quantum yield. It is found that the photoemission thresholds hν _s and hν _p for s-and p-polarized excitation are equal to each other and correspond to the work function. The lowest work function for Cs,Ba/n-GaN interfaces is observed at Cs or Ba coverages close to 0.5 monolayer. Two bands induced by the local interaction of cesium (barium) adatoms with gallium dangling bonds are detected in the electronic spectrum of surface states of Cs,Ba/n-GaN interfaces. An oscillation structure is observed in spectral dependences of the photoyield. This effect is new for photoemission. A model of the effect is proposed. It is found that electronic and photoemission properties of the interfaces correlate with the structural perfectness of the epitaxial n-GaN(0001) layers.     

2D degenerate electron gas at Ba/<Emphasis Type="Italic">n</Emphasis>-AlGaN and Ba/<Emphasis Type="Italic">n</Emphasis>-GaN interfaces

Ba/n-GaN(0001) and Ba/n-AlGaN(0001) interfaces were investigated for the first time by means of ultraviolet photoelectron spectroscopy. The spectra of the photoemission from a valence band along with the spectra of the core levels of Ga 3d, Al 2p, and Ba 4d were studied. The formation of a 2D degenerate electron gas (an accumulated layer on the n-GaN and n-AlGaN surfaces during adsorption of Ba atoms) was revealed.     

Charge accumulation layer on the <Emphasis Type="Italic">n</Emphasis>-GaN (0001) surface with ultrathin Ba coatings

The adsorption of Ba on the n-type GaN(0001) surface is studied. It is found that submonolayer Ba coatings induce cardinal changes in the electronic properties of the surface with the formation of a charge accumulation layer in the region of the near-surface band bending. The excitation of the Ba/n-GaN system by light from the region of GaN transparency results in photoemission. The lowest value of the work function corresponds to ～1.90 eV at a Ba coverage of ～0.4 ML. Two surface bands induced by Ba adsorption are found in the surface photoemission spectra.     

Electronic structure of a Ba/<Emphasis Type="Italic">n</Emphasis>-AlGaN(0001) interface and the formation of a degenerate 2D electron gas

The electronic structure of ultrathin Ba/n-AlGaN(0001) interfaces has been investigated in situ in an ultra-high vacuum by the ultraviolet photoelectron spectroscopy method. The photoemission spectra from the n-AlGaN valence band and the spectra of the core levels Ga 3d, Al 2p, and Ba 4d have been studied under synchrotron excitation with photon energies of 60–400 eV. The modification of the spectra in the process of the formation of the Ba/n-AlGaN interface in the mode of the Ba submonolayer coverages has been revealed. It has been found that a decrease in the intensity in some spectral regions of the valence band is attributed to the interaction of the surface states of the AlGaN substrate with the Ba adatoms. It has been revealed that the interface formation results in the appearance of a new photoemission peak of the quasimetallic character at the Fermi level in the AlGaN bandgap. It has been established that the peak is due to the formation of the degenerate electron gas in the accumulation nanolayer induced by adsorption near the n-AlGaN surface.     

Charge accumulation layer in Cs,Ba/<Emphasis Type="Italic">n</Emphasis>-GaN(0001) ultrathin interfaces: Electronic and photoemission properties

Experimental studies and theoretical calculations of the photoemission from Cs/n-GaN(0001) and Ba/n-GaN(0001) ultrathin interfaces were carried out. The electronic properties of the interfaces were studied in situ using threshold photoemission spectroscopy under vacuum at a residual pressure of P ～ 5 × 10^?11 Torr. A new effect was revealed, namely, photoemission with a high quantum yield under excitation with light in the transparency region of GaN. It was shown that adsorption of Cs or Ba on n-GaN brings about the formation of a quasi-two-dimensional electron channel, i.e., a charge accumulation layer directly near the surface. The dependences of the photoemission spectra and work function on the thickness of Cs and Ba coatings were investigated. It was established that adsorption of Cs and Ba leads to a sharp decrease in the work function by ～1.45 and ～1.95 eV, respectively. The photoemission spectra were calculated, and parameters of the accumulation layer, such as the energy position of the layer below the Fermi level for different Cs and Ba coverages, were determined. It was demonstrated that the energy parameters of the accumulation layer on the n-GaN(0001) surface can be controlled by properly varying the Cs or Ba coverage. The layer thickness was found to reach a maximum for a cesium coverage of ～0.5 monolayer.     

器件参数对GaN基n~+-GaN/i-Al_x Ga_(1-x)N/n~+-GaN结构紫外和红外双色探测器中紫外响应的影响

研究了AlGaN层参数对GaN基n+-GaN/i-AlxGa1-xN/n+-GaN结构紫外和红外双色探测器中紫外响应的影响规律及物理机制.模拟计算发现:降低AlGaN层本底载流子浓度会增加器件的量子效率,当本底载流子浓度不能进一步降低时,可以通过减小AlGaN层的厚度以保证器件的量子效率.在材料生长和器件工艺过程中都应减少界面态.外加较小的反向偏压能大幅度提高紫外量子效率,分析表明,GaN/AlGaN/GaN形成的两个背靠背、方向相反的异质结电场是出现这些现象的根本原因.在实际器件设计中,应该根据需要调节各结构参数,以保证器件的量子效率.     

Photoemission studies of ultrathin Cs,Ba/InN interfaces

Cs/InN and Ba/InN interfaces were studied by UV photoelectron spectroscopy in the submonolayer coverage range for the first time. Normal photoemission spectra from the valence band and spectra from In 4d, Ba 5p, Ba 4d, and Cs 5p core levels were investigated in the excitation energy range of 60–800 eV. It was found that metallization of the interface and narrowing of the valence band is observed upon increasing coverage.     

AlN, GaN, AlxGa1 − xN nanotubes and GaN/AlxGa1 − xN nanotube heterojunctions

Semiconductor optoelectronic devices based on GaN and on InGaN or AlGaN alloys and superlattices can operate in a wide range of wavelengths, from far infrared to near ultraviolet region. The efficiency of these devices could be enhanced by shrinking the size and increasing the density of the semiconductor components. Nanostructured materials are natural candidates to fulfill these requirements. Here we use the density functional theory to study the electronic and structural properties of (10,0) GaN, AlN, Al_xGa_1 − xN nanotubes and GaN/Al_xGa_1 − xN heterojunctions, 0<x<1. The Al_xGa_1 − xN nanotubes exhibit direct band gaps for the whole range of Al compositions, with band gaps varying from 3.45 to 4.85 eV, and a negative band gap bowing coefficient of −0.14 eV. The GaN/Al_xGa_1 − xN nanotube heterojunctions show a type-I band alignment, with the valence band offsets showing a non-linear dependence with the Al content in the nanotube alloy. The results show the possibility of engineering the band gaps and band offsets of these III-nitrides nanotubes by alloying on the cation sites.     

Subband transitions in AlxGa1−xN /GaN/ AlxGa1−xN and AlxGa1−xN /InN/ AlxGa1−xN single quantum wells

We have calculated the spectral regime of subband transitions in Al_xGa_1−xN/GaN and Al_xGa_1−xN/InN single quantum wells. We used a simplified model to account for the internal electric fields, which modify the shape of the quantum well. Some of the parameters for these materials have not yet been firmly established. Therefore, we carried out the analysis for the extremes of the reported values of conduction band discontinuities and band gaps (in the case of InN). This analysis shows that the spectral regime of interband transitions for 1–4 nm thick wells has wavelengths above 0.5 μm for AlGaN/InN and above 0.8 μm for AlGaN/GaN and both heterostructures cover several μm wavelengths. The spectral variation with alloy composition is less pronounced in the Al_xGa_1−xN/InN single quantum wells due to the higher electric field present across the InN quantum well as compared to GaN. The results of these calculations are in good agreement with more rigorous theoretical approaches and available experimental values for Al_xGa_1−xN/GaN.     

Charge accumulation in ultrathin Cs / n - GaN and Cs / n - InGaN interfaces

We report on the observation of new phenomena that arise under Cs adsorption on n-GaN(0001) and n-InGaN(0001) surfaces. First, an extremely highly quantum efficient photoemission has been found by excitation with visible light in the transparency region of GaN and InGaN. The photoemission is revealed to appear due to the formation of an electron accumulation layer in the vicinity of the surfaces. Second, a large variety of band bending and potential wells are provided by the Cs coverages. The accumulated charge density at the n-InGaN surface is much stronger than that at the n-GaN surface. Third, a new effect is revealed, namely, the appearance of an oscillation structure in the spectral dependences of the threshold photoemission. A model concept is proposed for photocurrent oscillations that takes into account the formation of an accumulation layer and the multiple-beam interference in parallel-sided GaN or InGaN samples.     

Introducing Ga2O3 thin films as novel electron blocking layer to ZnO/p-GaN heterojunction LED

N-ZnO/Ga₂O₃/p-GaN heterojunction light-emitting diode (LED) was fabricated by metal-organic chemical vapor deposition. Compared with the n-ZnO/p-GaN structure, the deep level visible emission at 525?nm was completely suppressed while UV emission at ~392?nm was significantly improved in ZnO/Ga₂O₃/p-GaN structure. The role of Ga₂O₃ in n-ZnO/Ga₂O₃/p-GaN heterojunction LED was discussed in detail.     

Resonant photoemission spectroscopy of Cu(InGa)Se2 materials for solar cells

The electron structure of CuIn_{1 ? x} Ga _x Se₂ single crystals is determined via resonant photoemis-sion and the main regularities of its transformation upon varying concentration x from 0 to 1 are established. The dependence of the shape of valence band spectra on the photon energy is studied. Integral photoemission intensities are shown to be determined by atomic photoionization cross sections. Processes of the direct and two-step creation of photoelectrons accompanying photoemission and the participation of internal states in the spectra of electrons from valence bands are studied. Two-hole final states in photoemission are obtained upon threshold excitation of the Cu 2p level. The strong interaction of holes leads to the multiplet splitting of these states. Partial densities of the components’ states are determined using the energy dependence of atomic photoionization cross sections.     

Optical gain spectra of unstrained graded GaAs/AlxGa1 − xAs quantum well laser

We have calculated the optical gain spectra in unstrained graded GaAs/Al_xGa_1 − xAs single quantum well lasers as a function of the energy of the radiation, the quantum well width and the interface thickness. The optical gain spectra were calculated using the density matrix approach (Luttinger–Kohn method), considering the parabolic band model (conduction band), all subband mixing between the heavy and light holes (valence band), and the transversal electrical light polarization. Our results show that the optical peak gain is sensitive to the width and the graded profile of the interfaces, and is blue-shifted as a function of the interface width.     

Fabrication and hard X-ray photoemission analysis of photocathodes with sharp solar-blind sensitivity using AlGaN films grown on Si substrates

Photocathode devices operating in reflection-mode, where the photoemission is detected on the same side as the light irradiation, were developed for the detection of deep ultraviolet light by using p-Al_xGa_1−xN films grown on Si(1 1 1) substrates. The external quantum efficiencies were as high as 20-15% at 200 nm and 280 nm, while the value was as low as 10⁻²% at 310 nm. The on-off ratio was more than four orders of magnitude, which represents high solar-blind sensitivity. The escape probability of Al_xGa_1−xN photocathode was decreased with increase of AlN mole fraction. The effective barrier potential against the photoelectron emission near the surface was reduced due to the upward shift of conduction band of Al_xGa_1−xN. The photoemission from the Al_xGa_1−xN films terminated with Cs-O adatoms will be discussed in terms of band diagrams that were evaluated by hard X-ray photoelectron spectroscopy.     

Site-dependent and composition-dependent spatial dielectric functions for Ga1−xAlxAs

In this paper we present analytical site-dependent and composition-dependent spatial dielectric functions for Ga_1?xAl_xAs involving compositions from x =0.1 to x =0.4 in steps of 0.1. The spatial dielectric functions we present describe the response of the valence electrons of Ga_1?xAl_xAs to charges Z = ± 1 (in atomic unit) placed on Ga, Al and As sites. To these sites we assign the effective charges (due to the partial ionicity of the bonds) of Z = +0.16, +0.20 and ?0.16 (in atomic unit).     

X-ray spectroscopic study of the valence band structure of Cd1−xMnxTe, x = 0.6

The valence band structure of Cd_1?xMn_xTe (x = 0.6) was studied by soft X-ray emission spectroscopy using a 11.5 m concave grating grazing incidence spectrometer in conjunction with a high power rotating anode, which provided the radiation for flourescence excitation. The position of the Mn 3d⁵ states within the energy band system could be identified unambiguously; they form a band near the top of the CdTe valence band. The results are discussed with regard to recently published photoemission data.     

Modeling of band discontinuity using modified Harrison model

Modeling of the valence band discontinuity was proposed with Harrison model modified by introducing the effective bond length for AlX (X = P, As, Sb). The valence band discontinuity of heterostructures including AlX as constituent, for example, GaAs/Al_xGa_1−xAs and Al_xIn1_1−xAs/ In_xGa_1−xAs, was predicted. The predicted values were in good agreement with the experimental values, different from ordinary Harrison model. Prediction of the valence band discontinuity of quarternary alloy (Al_xGa_1−x)_y In_1−yP lattice matched to GaAs was also attempted.     

Binding energies of wannier excitons in GaAs-Ga1−xAlxAs quantum well structures

Binding energies of Wannier excitons in a quantum well structure consisting of a single slab of GaAs sandwiched between two semi-infinite slabs of Ga_1?xAl_xAs are calculated using a variational approach. Due to reduction in symmetry along the axis of growth of these quantum well structures and the presence of band discontinuities at the interfaces, the degeneracy of the valence band of GaAs is removed leading to two exciton systems, namely, the heavy hole exciton and the light hole exciton. The variations of the binding energies of these two excitons as a function of the size of the GaAs quantum wells for various values of the heights of the potential barrier are calculated and their behavior is discussed.     

Spectromicroscopic investigation of (NH4)2S treated polycrystalline Cu(In1−xGax)Se2

Device-grade polycrystalline thin-film Cu(In_1−xGa_x)Se₂ was treated with (NH₄)₂S at 60°C to determine the resulting microscopic surface composition/morphology. Scanning electron microscopy was used to evaluate the resultant macroscopic surface morphology. Modification of the surface and grain boundary chemistry of the Cu(In_1−xGa_x)Se₂ polycrystalline films was investigated with scanning photoemission spectromicroscopy. The submicrometer lateral resolution of this technique allows us to directly characterize not only the surface chemistry of the treated films on the submicron scale, but also to probe the grain boundary chemistry. Chemical maps depicting the distribution of chemical species on the surface and at grain boundaries were obtained by monitoring the S 2p, Se 3d, In 4d/Ga 3d and Cu 3d (valence band) photoelectrons while scanning the sample. Background maps were also acquired of each of the peak energies to separate chemical contrast from topographic contrast. Results show that S has been incorporated at the surface, possibly creating a wider bandgap Cu(In_1−xGa_x)(Se_1−yS_y)₂ surface layer, and along the grain boundaries. The purpose of this investigation is to find an environmentally safe replacement for the toxic CdS overlayer commonly used for heterojunction devices without sacrificing overall device performance and reliability.     

Size quatized levels of the valence band and the optical gain in strained <Emphasis Type="Italic">p</Emphasis>-AlGaAs/GaAsP/<Emphasis Type="Italic">n</Emphasis>-AlGaAs structures under uniaxial compression

The band structure, size quatized levels, and wave functions in the conduction and valence bands of strained n-Al _x Ga_{1 − x} As/GaAs _y P_{1 − y} /p-Al _x Ga_{1 − x} As (y = 0.84) heterostructures are calculated numerically upon a uniaxial compression along the [110] direction. The calculation indicates a sublinear increase of the effective optical gap in the GaAs_0.84P_0.16 quantum well, strong mixing of states of light and heavy holes, and merging of the corresponding ground states in the quantum well of the valence band under a pressure of 4.5–5 kbar. The calculation of matrix elements of the electron-photon interaction operator for a system of possible interband transitions permits one to determine the optical gain for the TE and TM modes. The increase in this coefficient by two to fourfold under uniaxial compression agrees with the previously published experimental data on the increase of the electroluminescence intensity.