The effect of oxygen exposure on pentacene electronic structure

We use ultraviolet photoelectron spectroscopy to investigate the effect of oxygen and air exposure on the electronic structure of pentacene single crystals and thin films. It is found that O₂ and water do not react noticeably with pentacene, whereas singlet oxygen/ozone readily oxidize the organic compound. Also, we obtain no evidence for considerable p-type doping of pentacene by O₂ at low pressure. However, oxygen exposure lowers the hole injection barrier at the interface between Au and pentacene by 0.25 eV, presumably due to a modification of the Au surface properties.     

Manifestation of a Photorefractive Effect in the Raman Scattering Spectra of Lithium Niobate Crystals of Variable Composition

Using the Raman scattering spectra, we investigated the ordering of the structural units in the cation sublattice and the photorefractive properties of lithium niobate single crystals of variable composition, i.e., nominally pure ones with different Li/Nb ratios and those doped with the nonphotorefractive cations Mg²⁺, Gd³⁺, and Y³⁺. It is shown that at low concentrations of Mg²⁺, Gd³⁺, and Y³⁺ the magnitude of the photorefractive effect is substantially determined by the ordering of the structural units of the cation sublattice. It has been found for the first time that the intensity of the line corresponding to the bridge valence vibrations of oxygen atoms in the octahedrons of NbO₆ is sensitive to the dipole ordering of the cation sublattice of the crystal. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 72, No. 5, pp. 611–614, September–October, 2005.     

Critical Points and the Angle Defect

In a 1967 paper, Banchoff described a theory of critical points and curvature for polyhedra embedded in Euclidean space. For each convex cell complex K in , and for each linear map satisfying a simple generality criterion, he defined an index for each vertex of K with respect to the map h, and showed that these indices satisfy two properties: (1) for each map h, the sum of the indices at all the vertices of K equalsχK and (2) for each vertex of K, the integral of the indices of the vertex with respect to all such linear maps equals the standard polyhedral notion of curvature of K at the vertex. In a previous paper, the author defined a different approach to curvature for arbitrary simplicial complexes, based upon a more direct generalization of the angle defect. In the present paper we present an analog of Banchoff ’s theory that works with our generalized angle defect.     

Evolution of the Electroluminescence Spectra and the Acoustic Emission of the Epitaxial Structures of GaAsP

The dependence of the spectral position of the electroluminescence bands of epitaxial light-emitting diode n ⁺–n–p structures (GaAs_0.15P_0.85) on the density of a direct heterojunction current at different successive instants of time — before an acoustic emission and after it — has been revealed. The shifts of the electroluminescence bands accompanied by acoustic emission can be divided into three types according to the density of the current: (1) short-term shifts due to relaxation of the defect structure of a sample — at relatively low currents, (2) the magnitude of the reverse shift being determined by the current density — at large currents, and (3) formation of an IR band (1.5–1.1 eV) with irreversible degradation changing in the red (1.75 eV) and green (2.19 eV) bands of the electroluminescence spectrum — at ultrahigh currents (100–200 A/cm²).     

Role of gallium wetting layer in high-quality ZnO growth on sapphire (0001) substrates

ZnO is a wide direct bandgap (Eg=3.37 eV at room temperature) II-VI compound semiconductor of wurtzite structure (a = 3.249 ? c = 5.207 ?. Compared to GaN and ZnS, ZnO has a larger exciton binding energy, ~60 meV (cf. ~25 meV for GaN and ~40 meV for ZnS), which is advantageous to realizing low-threshold excitonic lasers. Since optically pumped UV lasing of ZnO at room temperature was reported in 1997[1], much attention has been paid to the crystal quality improvement and p-type conduc…     

Kazhdan-Lusztig Polynomials for 321-Hexagon-Avoiding Permutations

In (Deodhar, Geom. Dedicata, 36(1) (1990), 95–119), Deodhar proposes a combinatorial framework for determining the Kazhdan-Lusztig polynomials P _x , _w in the case where W is any Coxeter group. We explicitly describe the combinatorics in the case where (the symmetric group on n letters) and the permutation w is 321-hexagon-avoiding. Our formula can be expressed in terms of a simple statistic on all subexpressions of any fixed reduced expression for w. As a consequence of our results on Kazhdan-Lusztig polynomials, we show that the Poincaré polynomial of the intersection cohomology of the Schubert variety corresponding to w is (1+q) ^l(w) if and only if w is 321-hexagon-avoiding. We also give a sufficient condition for the Schubert variety X _w to have a small resolution. We conclude with a simple method for completely determining the singular locus of X _w when w is 321-hexagon-avoiding. The results extend easily to those Weyl groups whose Coxeter graphs have no branch points (B C _n , F ₄, G ₂).     

用紧束缚方法描述光子晶体缺陷耦合的共振频率移动

通常采用含两个耦合参数的紧束缚近似，就能很好地描述光子晶体缺陷因耦合而导致的共振频率分裂.然而，缺陷耦合造成的共振频率移动，即包含奇数个缺陷的耦合系统的中央共振频率位置与原来单缺陷时的共振频率位置存在差异，则只有采用含三个耦合参数的严格紧束缚方法才能正确描述.根据耦合参数与共振频率的关系，利用三缺陷耦合系统的模拟计算结果确定了三个耦合参数的具体值，从而在理论上能够预言由任意个缺陷构成的耦合系统的共振频率的移动和分裂.理论预言与基于有限时域差分法的数值计算完全相符.     

Mn22+离子1s22s-1s2np的偶极跃迁能和振子强度

用全实加关联方法计算了类锂Mn22 离子1s22s-1s2np(2≤n≤9)的偶极跃迁能和振子强度.1s2np(2≤n≤9)态的精细结构通过计算自旋-轨道与自旋-其他轨道相互作用算符的期待值确定.依据单通道量子亏损理论,确定了Rydberg系列1s2np的量子数亏损.从而可以用这些作为能量的缓变函数的量子亏损,实现对任意高激发态(n≥10)的能量的可靠预言.将这些分立态振子强度与单通道量子亏损理论相结合,得到在电离阈附近束缚态-束缚态跃迁振子强度以及束缚态-连续态跃迁的振子强度密度,从而将Mn22 离子的这一重要光谱特性的理论预言外推到整个能域.     

K2里德堡态新分类

根据里德堡轨道的nl? 特性，对理论计算和实验观察到的钾分子电子态进行了分类．这些态被划分为实贯穿和实非贯穿里德堡态．这种分类更能从本质上解释和预测实验结果．比较了这种分类法对K2的应用和对Na2、Li2的应用．