Bias-dependent generation and quenching of defects in pentacene

We describe a defect generation phenomenon that is new to organic semiconductors. A defect in pentacene single crystals can be created by bias-stress and persists at room temperature for an hour in the dark but only seconds with 420 nm illumination. The defect gives rise to a hole trap at Ev+0.38 eV and causes metastable transport effects at room temperature. Creation and decay rates of the hole trap have a 0.67 eV activation energy with a small (10(8) s(-1)) prefactor, suggesting that atomic motion plays a key role in the generation and quenching process.     

氧空穴导致二氧化钒低温相带隙变窄

具有一定能量的光照导致低温绝缘二氧化钒(VO_2)发生绝缘体金属转变.本文通过密度泛函理论的Heyd-Scuseria-Ernzerhof杂化泛函方法对含氧空穴的低温绝缘VO_2非磁M1相进行第一性原理研究.研究发现,含氧空穴的M1的晶格参数几乎不变,但氧空穴附近的长的V—V键长却变短了.进一步研究发现,尽管纯的非磁M1的带隙是0.68 eV,但含O1和O2位的氧空穴非磁M1带隙分别为0.23 eV和0.20 eV,同时含有O1和O2位氧空穴非磁M1带隙为0.15 eV,这很好地解释了实验结果.     

The generation of cationic vacancies in the electrolysis of doped alkali halide crystals

The introduction of metallic cadmium impurity into the melt reduces the electrical conductivity of KCl and KBr in the structure-sensitive range by 2–3 orders of magnitude. The electrolytic introduction of gold and nickel ions restores the impurity conductivity as a result of interaction of gold and nickel ions with the cadmium. The migration energies of cationic vacancies in KCl and KBr were found to be 0.67 eV and 0.62 eV, respectively.     

Influence of deep defects on electrical properties of Ni/4H-SiC Schottky diode

In this paper, we investigate the influence of deep level defects on the electrical properties of Ni/4H-SiC Schottky diodes by analyzing device current-voltage(I-V) characteristics and deep-level transient spectra(DLTS). Two Schottky barrier heights(SBHs) with different temperature dependences are found in Ni/4 H-SiC Schottky diode above room temperature. DLTS measurements further reveal that two kinds of defects Z_(1/2) and Ti(c)~a are located near the interface between Ni and SiC with the energy levels of E_C-0.67 eV and E_C-0.16 eV respectively. The latter one as the ionized titanium acceptor residing at cubic Si lattice site is thought to be responsible for the low SBH in the localized region of the diode, and therefore inducing the high reverse leakage current of the diode. The experimental results indicate that the Ti(c)~a defect has a strong influence on the electrical and thermal properties of the 4 H-SiC Schottky diode.     

GaInP/GaInAs/GaInNAs/Ge Four-Junction Solar Cell Grown by Metal Organic Chemical Vapor Deposition with High Efficiency

We directly grow a lattice matched GafnP/GaInAs/GaInNAs/Ge(1.88 eV/1.42eV/1.05eV/0.67eV) four-junction(43) solar cell on a Ge substrate by the metal organic chemical vapor deposition technology.To solve the current limit of the GalnNAs sub cell,we design three kinds of anti-reflection coatings and adjust the base region thickness of the GalnNAs sub cell.Developed by a series of experiments,the external quantum efficiency of the GafnNAs sub cell exceeds 80%.and its current density reaches 11.24 mA/cm~2.Therefore the current limit of the 4 J solar cell is significantly improved.Moreover,we discuss the difference of test results between 4J and GalnP/GalnAs/Ge solar cells under the 1 sun AMO spectrum.     

Bulk and near-surface annealing behavior of the 0.8 eV luminescence in semi-insulating gallium arsenide

An annealing study of the 0.8 eV photoluminescence band in LEC GaAs has been performed, using a combination of 10 min annealing steps over a temperature range of 800–1100° C and one hour furnace annealing steps at 500–700° C. Results show that the defect responsible for the luminescence is stable in bulk material under all annealing conditions that have been investigated. In combination with earlier results, this demonstrates a stability of the defect to temperatures in excess of 900° C and indicates a parallel with the annealing behavior of the 0.67 eV band in semi-insulating GaAs. The observed annealing behavior is very different in the near-surface region, indicating an important role of As out-diffusion.     

The structural,electronic, and optical properties of organic–inorganic mixed halide perovskites CH_3NH_3Pb(I_(1-y)X_y)_3(X = Cl,Br)

Methylammmonium lead iodide perovskites(CH_3NH_3PbI_3) have received wide attention due to their superior optoelectronic properties. We performed first-principles calculations to investigate the structural, electronic, and optical properties of mixed halide perovskites CH_3NH_3Pb(I_(1-y)X_y)_3(X = Cl, Br; y = 0, 0.33, 0.67). Our results reveal the reduction of the lattice constants and dielectric constants and enhancement of band gaps with increasing doping concentration of Cl-/Br-at I-. Electronic structure calculations indicate that the valance band maximum(VBM) is mainly governed by the halide p orbitals and Pb 6 s orbitals, Pb 6 p orbitals contribute the conduction band minimum(CBM) and doping does not change the direct semiconductor material. The organic cation [CH_3NH_3]~+does not take part in the formation of the band and only one electron donates to the considered materials. The increasing trends of the band gap with Cl content from y = 0(0.793 eV) to y = 0.33(0.953 eV) then to y = 0.67(1.126 eV). The optical absorption of the considered structures in the visible spectrum range is decreased but after doping the stability of the material is improving.     

A new semiconducting organic-inorganic nanocomposite, 1,5-diaminonphthalene-saponite intercalation compound

We synthesized a new intercalation compound, 1,5-diaminonaphathalene(DAN)-saponite where intercalated DAN molecules were shown to have a formal charge of +0.67 The measurement of optical diffuse reflectance spectra revealed the formation of electronic bands with a gap of ca. 1 eV suggesting semiconducting behaviour of this system. From ESR measurements, the radical formation in DAN-saponite was confirmed and the spin concentration was determined to be 1 spin per 200 and 300 DAN-molecules at 290 and 7.9 K, respectively. This temperature dependence of the spin density also implies the semiconductive nature of DAN-saponite.     

Polycrystalline GaSb films prepared by the coevaporation technique

Gallium antimonide (GaSb) films were deposited onto fused silica and n-Si (100) substrates by coevaporating Ga and Sb from appropriate evaporation sources. The films were polycrystalline in nature. The size and the shape of the grains varied with the change in the substrate temperature during deposition. The average surface roughness of the films was estimated to be 10 nm. Grain boundary trap states varied between 2×10¹² and 2.2×10¹² cm^?2 while barrier height at the grain boundaries varied between 0.09 eV and 0.10 eV for films deposited at higher temperatures. Stress in the films decreased for films deposited at higher temperatures. XPS studies indicated two strong peaks located at ～543 eV and ～1121 eV for Sb 3d_3/2 and Ga 2p_3/2 core-level spectra, respectively. The PL spectra measured at 300 K was dominated by a strong peak located ～0.55 eV followed by two low intensity peaks ～0.63 eV and 0.67 eV. A typical n-Si/GaSb photovoltaic cell fabricated here indicated V _oc～311 mV and J～29.45 mA/cm², the density of donors (N _d)～3.87×10¹⁵ cm^?3, built in potential (V _bi)～0.48 V and carrier life time (τ)～28.5 ms. Impedance spectroscopy measurements indicated a dielectric relaxation time ～100 μs.     

Localized diffusion of helium atoms around indium impurities in aluminium observed by means of perturbed angular correlations

The behaviour of He atoms implanted in ¹¹¹In doped Al has been investigated by means of perturbed angular correlation (PAC) measurements. The onset of He mobility was found to be at about 250K, probably due to vacancy-assisted migration. Mobile helium is effectively trapped at In impurities in small vacancy clusters that accomodate at most 11 He atoms. The PAC spectra taken at temperatures from about 510 K to 670 K exhibit a relaxation effect that is ascribed to hopping of He atoms from one vacancy to another, the saddle-point energy for this localized diffusion being 0.67(5) eV. A tentative model of the cluster is given.     

Intrinsic polyatomic defects in Sc2(WO4)3

The intrinsic formation of polyatomic defects in Sc₂(WO₄)₃-type structures is studied by Mott Littleton calculations and Molecular Dynamics simulations. Defects involving the WO₄²⁻ tetrahedron are found to be energetically favorable when compared to isolated W and O defects. WO₄²⁻ Frenkel and (2Sc³⁺, 3WO₄²⁻) Schottky defects exhibit formation energies of 1.23 eV and 1.97 eV, respectively and therefore may occur as intrinsic defects in Sc₂(WO₄)₃ at elevated temperatures. WO₄²⁻ vacancy and interstitial migration processes have been simulated by classical Molecular Dynamics simulations. The interstitial defect exhibits a nearly 10 times higher mobility (with a migration energy of 0.68 eV), than the vacancy mechanism (with a slightly higher migration energy of 0.74 eV) and thus should dominate the overall ionic conduction. Still both models reproduce the experimental activation energy (0.67 eV) nearly within experimental uncertainty.     

Cu-doped ZnO nanoparticles: Synthesis, structural and electrical properties

Pure and Cu doped ZnO nanopowders (5, 10, 15, 20, 25 and 30 at% Cu) have been synthesized using co-precipitation method. Transmission Electron Microscopic analysis has shown the morphology of ZnO nanopowders to be quasi-spherical. Powder X-ray Diffraction studies have revealed the systematic doping of Cu into the ZnO lattice up to 10% Cu, though the peaks corresponding to CuO in 10% Cu are negligibly very small. Beyond this level, there was segregation of a secondary phase corresponding to the formation of CuO. Fourier Transform Infrared spectra have shown a broad absorption band at ∼490 cm⁻¹ for all the samples, which corresponds to the stretching vibration of Zn-O bond. DC electrical resistivity has been found to decrease with increasing Cu content. The activation energy has also been observed to decrease with copper doping i.e. from ∼0.67 eV for pure ZnO to ∼0.41 eV for 30 at% Cu doped ZnO.     

Effect of biaxial strain on the band gap of wurtzite AlxGa1?xN

First-principles calculations are applied to investigate the effect of biaxial strain on the band gap of wurtzite Al _x Ga_1−x N. The band gap and band gap bowing parameter increase with compressive strain and decrease with tensile strain. The strain-induced changes in the band gap of Al _x Ga_1−x N are linear in the strain range of about −1% to 1% while the linearity is invalid out of the range. The linear coefficient B(x), characterizing the relationship between the band gap and the biaxial stress, with a quadratic form is obtained. The value of the band gap bowing parameter decreases from 1.0 eV for −2% strain to 0.91 eV for unstrained and to 0.67 eV for 2% strain.     

Coverage effects on phenol adsorption on Si(1 0 0)2 × 1 as: A first principle calculation

We investigated the adsorption of a 6-dimers Si(1 0 0)2 × 1 surface as a function of coverage and adsorption type (molecular/dissociative) by first principle calculations. In particular, we performed calculations on models with 2, 3, 4 and 6 phenol molecules, corresponding to coverage Θ = 0.34, 0.5, 0.67 and 1. We found that total adsorption energy, when at least one phenol is in a molecular state is lower than the sum of the corresponding singly adsorbed molecules. The dissociative adsorption of multiple molecules, both in parallel and switched configuration is most favoured for a coverage Θ = 0.34 (2.6 eV per adsorbed molecule). This values decreases to 2.0 eV and remains constant till the coverage 1 is reached.The energy barrier for the molecular-to-dissociated transition of a phenol molecule, in presence of another dissociatively adsorbed molecule is ∼0.008 eV and it is similar to the value in case of single adsorption. Possible hydrogen displacements were also considered.     

Experimental investigation of large-volume PIA plasmas atatmospheric pressure

Large-volume atmospheric-pressure plasmas have been the subject of previous research as a laboratory simulation of ball lightning, but measurements of the plasma properties have been unavailable. The present investigation employed a non-resonant microwave chamber with a 1000-W microwave-source operating at 2.45-GHz frequency to produce large volume (up to 0.8 L) plasmas that persisted after microwave shutoff. A Langmuir probe was used to measure electron density and temperature, and the highest values measured were 10¹⁰ cm^-3 at 0.67 eV, respectively. Plasma lifetimes after microwave shutoff were also measured, using both a photocell and a video camera, and were found to average 200 ms. A working hypothesis of the formation of shared electron orbitals in dense gas discharges is put forth to explain this phenomenon     

Luminescence bands in natural brown diamonds

We report on new luminescence bands exhibited by natural brown/mauve diamonds. We describe detailed absorption and luminescence measurements in the visible spectral region. The structured bands with ZPL at 2.424 eV, 2.114 eV, 1.819 eV and 1.707 eV, and a broad band with a maximum at 1.8 eV are shown to be the main components of the visible luminescence. Bands with ZPL at 2.114 eV, 1.819 eV and 1.707 eV are shown to correspond to forbidden transitions with lifetimes of the order of msec. Energy absorbed by the 2.424 eV centre is transferred into the 1.819 eV centre.     

Electrical conductivity, magnetoresistance, and specific heat of oxygen-deficient La0.67Ca0.33MnO3−α(0≤α<0.4)

This paper reports on a first study of the effect of oxygen content in La_0.67Ca_0.33MnO_3?α on the electrical conductivity, magnetoresistance, and specific heat within a broad range of oxygen deficiency variation, 0≤α<0.4. Preparation of a large quantity of stable samples with an easily controllable oxygen deficiency was made possible by using a “soft” hydrogen treatment (870 K, 1–2 kPa). The properties of samples with 0≤α≤0.06 are shown to differ from those with α≥0.1. For instance, samples studied in the semiconducting phase at 300 K revealed, on the average, E _g=0.28 eV in the first group and E _g=0.43 eV in the second, and only samples of the first group exhibit giant negative magnetoresistance and specific-heat anomalies in the range 150–200 K. The latter anomalies correlate with magnetoresistance peaks observed in all samples of the first group (with α≤0.06). The metal-semiconductor transition was found to disappear abruptly for α>0.006. The effects of a variation in the cation composition and the oxygen content on the physical properties are compared.     

掺Er/Pr的GaN薄膜深能级的研究

利用深能级瞬态谱(DLTS)、傅里叶变换红外光谱(FT-IR)对GaN以及GaN掺Er/Pr的样品进行了 电学和光学特性分析.研究发现未掺杂的GaN样品只在导带下0.270eV处有一个深能级；GaN注 入Er经900℃,30min退火后的样品出现了四个深能级，能级位置位于导带下0.300 eV,0.188 eV,0.600 eV 和0.410 eV；GaN注入Pr经1050℃,30min退火后的样品同样出现了四个深能级 ，能级位置位于导带下0.280 eV,0.190 eV,0.610 eV 和0.390 eV；对每一个深能级的来源 进行了讨论.光谱研究表明，掺Er的GaN样品经900℃,30min退火后，可以观察到Er的1538nm 处的发光，而且对能量输运和发光过程进行了讨论. 关键词： GaN Er Pr 深能级     

Low-temperature photoluminescence spectra of CdO–In2O3 thin films prepared by sol–gel

(CdO)_1?x–(InO_3/2)_x thin films were deposited on glass substrates by the sol–gel method. The precursor solutions for the mixed oxide films were obtained from the mixture of the precursor solutions for CdO and In₂O₃ prepared separately. The investigated In atomic concentrations in the solution, x, were 0.0, 0.16, 0.33, 0.50, 0.67, 0.84, and 1. X-ray diffraction measurements showed that the films were mainly constituted of CdO, In₂O₃, and CdIn₂O₄. CdO and In₂O₃ were obtained for x=0 and 1, respectively. For x=0.67, which is the stoichiometric composition of the CdIn₂O₄ compound, only this oxide was formed. CdO and CdIn₂O₄ crystals were obtained in the Cd-rich region, whereas In₂O₃ and CdIn₂O₄ crystals were formed in the In-rich region. The PL spectra at 15 K for CdO showed the presence of two main emission bands at energies close to 2.2 and 3.0 eV. A blue-shift of these bands took place for increasing In concentration, which is related to the increase in the band gap energy of the mixed system in going from CdO, with a band gap energy of 2.46 eV, to CdIn₂O₄, with 3.2 eV, to In₂O₃, with 3.6 eV.     

Attenuation lengths of low-energy electrons in free-standing carbon films

Attenuation lengths for electrons passing through a free-standing 40-Å carbon film are reported for electron energies between 6 and 1200 eV. Attenuation lengths for inelastic scattering are found to decrease from approximately 20 Å at 1200 eV to 6 Å in a broad minimum at 40 eV and then to rise to 9 Å at 6 eV. The results are in satisfactory agreement with theory between 200 and 1200 eV where appropriate calculations are available.