Absence of Fermi-level pinning at cleaved nonpolar InN surfaces

Prior experimental work had found that the Fermi level at InN growth surfaces is pinned well above the conduction band edge, leading to strong surface band bending and electron accumulation. Using cross-sectional scanning photoelectron microscopy and spectroscopy, we show definitive evidence of unpinned Fermi level for in situ cleaved a-plane InN surfaces. To confirm the presence or absence of band bending, the surface Fermi level relative to the valence band edge was precisely measured by using both the Fermi edge of Au reference sample and the core level of ultrathin Au overlayer. It is confirmed that flat surface bands only occur at cleaved nonpolar surfaces, consistent with the recent theoretical predictions.     

Negative band gaps in dilute InNxSb1-x alloys

A thin layer of InNSb has been fabricated by low energy nitrogen implantation in the near-surface region of InSb. X-ray photoelectron spectroscopy indicates that nitrogen occupies approximately 6% of the anion lattice sites. High-resolution electron-energy-loss spectroscopy of the conduction band electron plasma reveals the absence of a depletion layer for this alloy, thus indicating that the Fermi level is located below the valence band maximum (VBM). The plasma frequency for this alloy combined with the semiconductor statistics indicates that the Fermi level is located above the conduction band minimum (CBM). Consequently, the CBM is located below the VBM, indicating a negative band gap material has been formed. These measurements are consistent with k.p calculations for InN0.06Sb0.94 that predict a semimetallic band structure.     

InN的光致发光特性研究

研究了利用金属有机化学气相淀积生长的氮化铟薄膜的光致发光特性. 由于氮化铟本身具有很高的背景载流子浓度, 费米能级在导带之上, 通过能带关系图以及相关公式拟合光致发光图谱可以得到生长的氮化铟的带隙为0.67 eV, 并且可以计算出相应的载流子浓度为n=5.4×10¹⁸ cm^-3, 从而找到了一种联系光致发光谱与载流子浓度两者的方法. 另外通过测量变温条件下氮化铟的发光特性, 研究了发光峰位以及发光强度随温度的变化关系, 发现光致发光强度随温度的升高逐渐降低, 发光峰位随温度的升高只是红移, 并没有出现"S"形的非单调变化, 这种差异可能是由于光致发光谱的半高宽过高导致, 同时也可能与载流子浓度以及内建电场强度有关. 关键词： 氮化铟 金属有机化学气相淀积 光致发光 载流子浓度     

Abnormal phenomenon of source-drain current of AlGaN/GaN heterostructure device under UV/visible light irradiation

We report an abnormal phenomenon that the source-drain current (I_D) of AlGaN/GaN heterostructure devices decreases under visible light irradiation. When the incident light wavelength is 390 nm, the photon energy is less than the band gaps of GaN and AlGaN whereas it can causes an increase of I_D. Based on the UV light irradiation, a decrease of I_D can still be observed when turning on the visible light. We speculate that this abnormal phenomenon is related to the surface barrier height, the unionized donor-like surface states below the surface Fermi level and the ionized donor-like surface states above the surface Fermi level. For visible light, its photon energy is less than the surface barrier height of the AlGaN layer. The electrons bound in the donor-like surface states below the Fermi level are excited and trapped by the ionized donor-like surface states between the Fermi level and the conduction band of AlGaN. The electrons trapped in ionized donor-like surface states show a long relaxation time, and the newly ionized donor-like surface states below the surface Fermi level are filled with electrons from the two-dimensional electron gas (2DEG) channel at AlGaN/GaN interface, which causes the decrease of I_D. For the UV light, when its photon energy is larger than the surface barrier height of the AlGaN layer, electrons in the donor-like surface states below the Fermi level are excited to the conduction band and then drift into the 2DEG channel quickly, which cause the increase of I_D.     

In-plane photovoltage measurements on MBE grown InN

Temperature dependent measurements of the in-plane photovoltage (IPV) arising from Fermi level fluctuations constitute a powerful tool for determining surface and bulk states and trap activation energies in nominally undoped semiconductors. In this work we report the first IPV measurements on high quality InN grown using the MBE technique. The temperature dependent IPV results coupled with Hall mobility and carrier density measurements provide ample evidence for the existence of a high density of states within the range 54 to 68 meV below the conduction band. Temperature dependent PL measurements indicate a band gap of 0.77 eV where a very weak temperature dependence is observed between 77 and 300 K. These results are shown to be in accord with the IPV measurements.     

一种由自由电子能带模型计算费米能级的方法

对面心立方（fcc)、体心立方（bcc)和六角密堆积（hcp)三种不同结构的晶体,在假设它们的原胞中包含8个价电子并将价电子近似为自由电子的情况下,采用“自由电子气理论”和“自由电子能带模型”,研究其根据费米球确定的费米能级EF与根据自由电子能带模型计算的平均键能Em。研究结果表明,由自由电子能带模型计算所得3种不同结构晶体（因而电子密度也不一样）的平均键能Em等于各自自由电子系统的费米能级EF。平均键能Em是我们在异质结带阶理论计算中建议的一种参考能级,研究结果在深化对平均键能Em物理实质认识的同时,提供了一种借助于自由电子能带模型计算自由电子系统费米能级EF的新方法。     

B、N单掺杂3C-SiC电子结构和光学性质的第一性原理研究

采用第一性原理的密度泛函理论赝势平面波方法,计算了未掺杂与B、N单掺杂3C-SiC的电子结构和光学性质.结果表明:掺杂改变了3C-SiC费米面附近的电子结构;B掺杂使得禁带宽度减小,价带顶上移,费米能级进入价带,形成p型半导体;N掺杂使得禁带宽度减小,导带底下移,费米能级进入导带,形成n型半导体.B、N掺杂均提高了3C-SiC在低能区的折射率、消光系数和吸收系数,增强了对红外光谱的吸收.     

Quantized electron accumulation states in indium nitride studied by angle-resolved photoemission spectroscopy

Electron accumulation states in InN have been measured using high resolution angle-resolved photoemission spectroscopy (ARPES). The electrons in the accumulation layer have been discovered to reside in quantum well states. ARPES was also used to measure the Fermi surface of these quantum well states, as well as their constant binding energy contours below the Fermi level E(F). The energy of the Fermi level and the size of the Fermi surface for these quantum well states could be controlled by varying the method of surface preparation. This is the first unambiguous observation that electrons in the InN accumulation layer are quantized and the first time the Fermi surface associated with such states has been measured.     

Surface electron accumulation in indium nitride layers grown by high pressure chemical vapor deposition

Surface termination and electronic properties of InN layers grown by high pressure chemical vapor deposition have been studied by high resolution electron energy loss spectroscopy (HREELS). HREEL spectra from InN after atomic hydrogen cleaning show N-H termination with no indium overlayer or droplets and indicate that the layer is N-polar. Broad conduction band plasmon excitations are observed centered at 3400 cm⁻¹ in HREEL spectra with 7 eV incident electron energy which shift to 3100 cm⁻¹ when the incident electron energies are 25 eV or greater. The shift of the plasmon excitations to lower energy when electrons with larger penetration depths are used is due to a higher charge density on the surface compared with the bulk, that is, a surface electron accumulation. These results indicate that surface electron accumulation on InN does not require excess indium or In-In bonds.     

Evolution of electronic states in thin Ca(001) flms in strong electrostatic fields

The transformation of electronic states in Ca(001) films in strong electrostatic fields is studied using electron density functional theory. It is shown that an excess film charge of either sign pins the Fermi level (with respect to the conduction band edge) in a wide range of fields. For positively charged films, the change in the density of states at the Fermi level is small but the energy derivative of the density of states changes sign with increasing excess charge of the film. For negatively charged Ca(001) films, the change in the density of states at the Fermi level plays the main role in stabilizing the width of the occupied part of the conduction band; this should be manifested in the electronic thermodynamic and transport properties of negatively charged Ca(001) films with quantum confinement.     

Density functional investigation of structural, electronic and optical properties of Ge-doped ZnO

Recent experiments reported fascinating phenomenon of photoluminescence (PL) blueshift in Ge-doped ZnO. To understand it, we examined the structural, electronic and optical properties of Ge-doped ZnO (ZnO:Ge) systematically by means of density functional theory calculations. Our results show that Ge atoms tend to cluster in heavily doped ZnO. Ge clusters can limit the conductivity of doped ZnO but reinforce the near-band-edge emission. The substitutional Ge for Zn leads to Fermi level pinning in the conduction band, which indicates Ge-doped ZnO is of n-type conductivity character. It is found that the delocalized Ge 4s states hybridize with conduction band bottom, and is dominant in the region near the Fermi level, suggesting that Ge-4s states provides major free carriers in ZnO:Ge crystal. The observed blueshift of PL in Ge-doped ZnO originates from the electron transition energy from the valence band to the empty levels above Fermi level larger than the gap of undoped ZnO. The electron transition between the gap states induced by oxygen vacancy and conduction band minimum may be the origin of the new PL peak at 590 nm.     

Combined EELS, LEED and SR-XPS study of ultra-thin crystalline layers of indium nitride on InP(1 0 0)—Effect of annealing at 450 °C

In this study, InP(1 0 0) surfaces were bombarded by argon ions in ultra high vacuum. Indium metallic droplets were created in well controlled quantities and played the role of precursors for the nitridation process. A glow discharge cell was used to produce a continuous plasma with a majority of N atomic species. X-ray photoelectron spectroscopy (XPS) studies indicated that the nitrogen combined with indium surface atoms to create InN thin films (two monolayers) on an In rich-InP(1 0 0) surface. This process occurred at low temperature: 250 °C. Synchrotron radiation photoemission (SR-XPS) studies of the valence band spectra, LEED and EELS measurements show an evolution of surface species and the effect of a 450 °C annealing of the InN/InP structures. The results reveal that annealing allows the crystallization of the thin InN layers, while the LEED pattern shows a (4 × 1) reconstruction. As a consequence, InN related structures in EELS and valence bands spectra are different before and after the annealing. According to SR-XPS measurements, the Fermi level is found to be pinned at 1.6 eV above the valence band maximum (VBM).     

GaN and InN nanowires grown by MBE: A comparison

Morphological, optical and transport properties of GaN and InN nanowires grown by molecular beam epitaxy (MBE) have been studied. The differences between the two materials in respect to growth parameters and optimization procedure was stressed. The nanowires crystalline quality has been investigated by means of their optical properties. A comparison of the transport characteristics was given. For each material a band schema was shown, which takes into account transport and optical features and is based on Fermi level pinning at the surface. PACS 73.30.+y; 73.21.Hb; 73.22.-f     

Density of Electronic States in the Conduction Band of Ultrathin Films of Naphthalenedicarboxylic Anhydride and Naphthalenetetracarboxylic Dianhydride on the Surface of Oxidized Silicon

The results of examination of the electronic structure of the conduction band of naphthalenedicarboxylic anhydride (NDCA) films in the process of their deposition on the surface of oxidized silicon are presented. These results were obtained using total current spectroscopy (TCS) in the energy range from 5 to 20 eV above the Fermi level. The energy position of the primary maxima of the density of unoccupied states (DOUS) of an NDCA film was determined based on the experimental TCS data and calculated data and compared with the position of the DOUS maxima of a naphthalenetetracarboxylic dianhydride (NTCDA) film. The theoretical analysis involved calculating the energies and the spatial distribution of orbitals of the molecules under study at the B3LYP/6-31G(d) DFT (density functional theory) level and correcting the obtained energies in accordance with the procedure that was proven effective in earlier studies of the conduction band of films of small conjugated organic molecules. It was found that the DOUS maxima of the NTCDA film in the studied energy interval from 5 to 20 eV above the Fermi level are shifted toward lower electron energies by 1–2 eV relative to the corresponding DOUS maxima of the NDCA film Subdivision of the Ufa Federal Research Centre of the.

     

Narrow band gap group III-nitride alloys

Recent results on the properties of narrow gap group III-nitrides and their alloys are reviewed. It is shown that InN with the energy gap of 0.7 eV exhibits classical characteristics of a narrow gap semiconductor with strongly nonparabolic conduction band and an energy dependent electron effective mass. With the new discovery, the direct band gaps of the group III-nitride alloys span an extremely wide energy range from near infrared in InN to deep ultraviolet in AlN offering possibilities for new device applications of these materials. We also discuss properties of dilute group III-N–V alloys in which incorporation of a small amount of nitrogen results in a dramatic band gap reduction. All the unusual properties of the alloys are well described by a band anticrossing model that considers an interaction between localized nitrogen states and the extended states of the conduction band.     

Optical properties of InN—the bandgap question

The recent controversy on the bandgap of InN is addressed, with reference to optical data on single crystalline thin film samples grown on sapphire. The optical absorption spectra deduced from transmission data or spectroscopic ellipsometry are consistent with a lowest bandgap around 0.7 eV in the low doping limit. Further, these data from a number of different independent authors and samples give values for the absorption coefficient within a factor 2 well above the absorption edge, supporting an intrinsic direct bandgap process. The presence of Mie resonances due to In inclusions in the InN matrix affects the shape of the absorption above the edge, but is less relevant for the discussion of the bandgap for pure InN. The alternative model of a deep level to conduction band transition requires the presence of a deep donor at a concentration close to 10²⁰ cm⁻³; in addition this concentration has to be the same within a factor 2 in all samples studied so far. This appears implausible, and no such deep donor could so far be identified from SIMS data in the highest quality samples studied. The line shape of the photoluminescence spectra can be quite well reproduced in a model for the optical transitions from the conduction band states to localized states above the valence band, including the Coulomb effects of the impurity potentials. A value of 0.69 eV for the bandgap of pure InN is deduced at 2 K. For samples that appear to be only weakly degenerate n-type two narrow peaks are observed in the photoluminescence at low temperature, assigned to conduction band—acceptor transitions. These peaks can hardly be explained in the deep level model. Recent cathodoluminescence data on highly n-doped InN films showing that the emission appears to be concentrated around In inclusions can also be explained as near bandgap recombination, considering the plausible enhancement due to interface plasmons. Finally, recent photoluminescence data on quantum structures based on InN and InGaN with a high In content appear to be consistent with moderate upshifts of the emission from a 0.7 eV value due to electron confinement.     

Indication of charge-density-wave formation in Bi(111)

Photoemission spectroscopy of Bi(111) reveals a small hexagonal two-dimensional Fermi surface (FS) associated with an electron band centered in the surface Brillouin zone. Along the hexagon the Fermi momentum k(F) ranges from 0.053 to 0.061 A(-1). Temperature dependent valence band spectra show an anisotropic energy gap Delta near the Fermi level. We find a transition temperature of about 75 K. At 11 K, the gap is Delta=4 meV at the corner and Delta=7.5 meV at the side of the hexagon. Arguments based on susceptibility chi(--> q) calculations of a hexagonal FS are used to discuss an incommensurate charge-density-wave (CDW) formation associated with a q(CDW)=0.106 A(-1).     

The charge neutrality level and the fermi level pinning in A<Superscript>3</Superscript>N (BN,AlN, GaN,InN) nitrides

The electronic band structure and position of the charge neutrality level (CNL) in BN, AlN, GaN, and InN compounds with cubic and hexagonal lattices are calculated within the density functional theory (DFT-GGA). It is shown that the charge neutrality level is shifted from the middle of the BN and AlN forbidden band to the upper half of the GaN forbidden band and to the allowed energy region in the InN conduction band as the cation atomic weight increases. This determines semiinsulating properties of BN and AlN, n-type conductivity of GaN, and n ⁺-type conductivity of InN upon saturation of these materials by intrinsic lattice defects due to hard radiation. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 12, pp. 24–31, December, 2008.     

Surface properties of Si from photoelectric emission at room temperature and 80 °K

The position of the Fermi level with respect to the energy bands at a semiconductor surface as well as changes in the work function can be determined from the energy distributions of photoelectrically emitted electrons. Prior studies involved the photoelectric yield spectrum and required assumptions concerning the photoelectric threshold; the present method is free of such assumptions. Measurements at room temperature indicate that the Fermi level lies 0.23 eV and 0.41 eV above the top of the valence band for degenerate p and n-type materials, respectively. These results confirm those of Allen and Gobeli¹). Cooling to 80 °K increases the work function of p-type material by 0.025 eV while that of n-type Si remains unchanged; the results show that the electron and hole gases in the surface states are degenerate. The density of surface states lies between 7 × 10¹³ and 10¹⁵ eV⁻¹ cm⁻². On the cesiated surface, the Fermi level lies 0.16 eV below the conduction band at room temperature and coincides with its bottom at 80 °K.     

不同价态Mn掺杂InN电子结构、磁学和光学性质的第一性原理研究

采用密度泛函理论体系下的广义梯度近似GGA+U平面波超软赝势方法,在构建了纤锌矿结构的InN超胞及三种不同有序占位Mn~(2+),Mn~(3+)价态分别掺杂InN超胞模型,并进行几何优化的基础上,计算了掺杂前后体系的电子结构、能量以及光学性质.计算结果表明:Mn掺杂后体系总能量和形成能降低,稳定性增加,并在费米能级附近引入自旋极化杂质带,体系具有明显的自旋极化现象.掺杂不同价态的Mn元素对体系电子结构和磁学性质产生了不同的影响.电子结构和磁性分析表明掺杂体系的磁性来源于p-d交换机制和双交换机制的共同作用,Mn~(3+)价态掺杂有利于掺杂体系的居里温度达到室温以上.与未掺杂InN相比,不同价态Mn元素掺杂后体系的静态介电函数显著增大,掺杂体系介电函数虚部和吸收光谱在低能区域出现了较强的新峰,分析认为这些新峰主要来自与费米能级附近自旋极化杂质带相关的跃迁.