Optical anisotropy of surface-emitting ZnSe/BeTe LEDs

The electric field-induced in-plane optical anisotropy (Pockels effect) of ZnSe/BeTe multi-layered heterostructures has been studied by analysing the linear polarization of the spatially indirect photoluminescence. A pronounced quantum-confined Pockels effect was found in ZnSe/BeTe double-barrier structures. A tight-binding model is proposed which consistently interprets the experimental findings and suggests a new mechanism for the effect as realized in type-II heterostructures. The model takes into account that the ZnSe/BeTe heterosystem exhibits a type-II band alignment with large band offsets and that in the zinc-blende lattice the chemical bonds are oriented in 〈111〉 directions and, when shifted along the [001] principal axis, alternatively change their orientation in the (001) plane from [1 1 0] to [110] and vice versa. A light-emitting diode based on a single ZnSe/BeTe interface is demonstrated.     

On the selective catalytic behaviour of the Cu-NI alloy surface

The selective catalytic behaviour of the Cu_xNi_1?x alloy surface is studied. The concentration dependence of the catalytic activity with respect to chemical reactions involving cracking and non-cracking of C-C bonds is calculated for a simple model for C-C bonds. Surface segregation and local environment effects on chemisorption both calculated from a microscopic electronic theory using tight-binding approximation are taken into account.     

Transverse electric field-induced quantum valley Hall effects in zigzag-edge graphene nanoribbons

We have investigated gapless edge states in zigzag-edge graphene nanoribbons under a transverse electric field across the opposite edges by using a tight-binding model and the density functional theory calculations. The tight-binding model predicted that a quantum valley Hall effect occurs at the vacuum-nanoribbon interface under a transverse electric field and, in the presence of edge potentials with opposite signs on opposite edges, an additional quantum valley Hall effect occurs under a much lower field. Dangling bonds inevitable at the edges of real nanoribbons, functional groups terminating the edge dangling bonds, and spin polarizations at the edges result in the edge potentials. The density functional theory calculations confirmed that asymmetric edge terminations, such as one having hydrogen at an edge and fluorine at the other edge, lead to the quantum valley Hall effect even in the absence of a transverse electric field. The electric field-induced half-metallicity in the antiferromagnetic phase, which has been intensively investigated in the last decade, was revealed to originate from a half-metallic quantum valley Hall effect.     

m面GaN平面内结构和光学各向异性研究

采用金属有机物化学气相淀积方法在铝酸锂LiAlO₂衬底上外延生长m面GaN薄膜.X射线衍射测量的结果表明所得薄膜具有较理想的m面晶体取向,并对其各向异性的应变进行了计算,摇摆曲线的测量发现样品存在明显的面内结构各向异性.采用偏振光致发光研究材料的面内光学各向异性,发现随着偏振角度的改变,发光峰的峰位和强度均有明显变化,并用对称性破缺导致价带子带劈裂的理论对结果进行了解释. 关键词： m面GaN 结构各向异性 偏振光致发光     

Controlling surface states and photoluminescence of porous silicon by low-energy-ion irradiation

Porous silicon (PS) was irradiated by three kinds of low-energy ions with different chemical activity, namely argon ions, nitrogen ions and oxygen ions. The chemical activity of ions has significant effect on the surface states and photoluminescence (PL) properties of PS, The photoluminescence quenching after argon ions and nitrogen ions irradiation is ascribed to the broken Si-Si bonds, while the PL recovery is attributed to the oxidation of Si-H back bonds. Oxygen ions irradiation leads to the formation of a SiO_x layer with oxygen defects and PS shows different PL evolution than PS irradiated by argon ions and nitrogen ions.     

Intensity control of the focal spot by vectorial beam shaping

A vectorial beam shaping algorithm is presented for the design of a phase-only diffractive optical element to achieve a given target intensity profile in the focal plane under tight focusing conditions. The underlying iterative optimization scheme is based on the Richards-Wolf vectorial diffraction theory and the Gerchberg-Saxton method, and is suitable for an arbitrary incoming polarization distribution, since only the magnitudes of the field vectors in the focal plane are reshaped. The efficiency of the method is numerically demonstrated for flat-top beam shaping examples of linear and circular incoming beam polarizations and square and circular flat-top region shape. A diffraction efficiency of 97.1% and a uniformity error of 4.8% were achieved in the case of focusing a Gaussian input beam onto a 50λ × 50λ square flat-top region with a 1.4-NA lens.     

A TIGHT-BINDING CALCULATION OF LAYERED ULTRTHIN COHERENT STRUCTURES(LUCS)

The present article describes the calculation of the sub-band structure and atomic plane projected model of newly reported artificial materials,Layered Ultrathin Coherent Strucures (LUCS),by means of the Green's function method in the tight-binding approximation while only taking into account the nearest neighbor matrix elements.A formulation of a more accurate method for he same purpose,in terms of linear combinations of muffin-tin orbitals and interface plane wave orbitals is given in the appendix.     

Measurement of photon polarization from the three-photon annihilation of orthopositronium

Using a Compton polarization analyzer the linear polarization of one photon from the three-photon decay of orthopositronium under several geometrical conditions has been measured. For α₁=45°, 75°, 105° and 120°, the ration of the number of photons Compton-scattered parallel to the plane of the three photons to the number scattered perpendicular to that plane was found to be 1.20±0.03, 1.53±0.03, 1.76±0.06 and 1.86±0.06, respectively. The linear polarization of the photons along the plane of the three photons was determined as 0.15±0.04, 0.33±0.04, 0.49±0.04 and 0.51±0.05, respectively. This result is in agreement with theoretical predictions.     

Spectroscopy of polarized luminescence of nanostructures

The effect of different distortions arising in nanostructures and of external fields on polarization of radiation has been studied. Occurrence of linear polarization of photoluminescence in a magnetic field applied in the plane of a structure containing a CdTe/CdMnTe quantum well has been considered. The influence of a magnetic field on the effects of optical orientation and optical alignment of excitons and trions in self-assembled CdSe/ZnSe quantum dots has been investigated. Analysis of the experimental data reveals low symmetry of the structures studied. It is shown that the distribution of the anisotropy axes in the plane of nanostructures is nearly random.     

Evidence for interlayer donor–acceptor recombination in type II GaAs/AlAs superlattices

Steady-state and time-resolved photoluminescence of (GaAs)₇(AlAs)₉type II superlattices grown simultaneously by molecular beam epitaxy on (311)A and (100) GaAs substrates, intentionally undoped or uniformly doped with silicon, has been studied. It is shown that at temperatures T >  30 K, the dominant line in the photoluminescence spectra of superlattices is caused by donor–acceptor recombination between the donors located in the AlAs layers and the acceptors in the GaAs layers. The sum of the binding energies of the donors and acceptors in the pairs has been determined. A spectrally-dependent linear polarization of the donor–acceptor line along the direction of the interface corrugation of the superlattice has been discovered in the spectra of (311)A-oriented superlattices.     

ZnSe/BeTe Ⅱ型量子阱中界面结构对发光特性的影响

报道了具有特殊界面结构(界面包含三个Zn—Te或Te—Zn化学键)的非掺杂ZnSe/BeTe II 型量子阱在低温(5—10 K)条件下的空间间接光致发光(PL)光谱的实验结果. PL光谱显示了一个较弱的双峰结构和较低的线性偏振度,并且这两个峰的线性偏振度相反. 此外,这个PL光谱也强烈地依赖于一个外加电场的变化. 这些结果表明样品的两个发光峰是分别来自两个界面的发光跃迁,并且特殊界面结构降低了空间间接PL的发光效率和线性偏振性,以及界面附近的内秉电场. 随着激发强度的增加,PL谱的高能端发光峰显示了一个 关键词： Ⅱ型量子阱 光致发光 界面结构     

Microwave emulations and tight-binding calculations of transport in polyacetylene

A novel approach to investigate the electron transport of cis- and trans-polyacetylene chains in the single-electron approximation is presented by using microwave emulation measurements and tight-binding calculations. In the emulation we take into account the different electronic couplings due to the double bonds leading to coupled dimer chains. The relative coupling constants are adjusted by DFT calculations. For sufficiently long chains a transport band gap is observed if the double bonds are present, whereas for identical couplings no band gap opens. The band gap can be observed also in relatively short chains, if additional edge atoms are absent, which cause strong resonance peaks within the band gap. The experimental results are in agreement with our tight-binding calculations using the nonequilibrium Green's function method. The tight-binding calculations show that it is crucial to include third nearest neighbor couplings to obtain the gap in the cis-polyacetylene.     

Dielectric constant of a dimerized interrupted strand model

The static electronic polarizability has been calculated in a one-electron tight-binding approximation for dimerized linear chains of various lengths, L. When dimerization creates a Peierls gap that is comparable to or greater than the intrinsic level splitting, the electronic polarization is reduced and increases less rapidly with chain length than N², the result obtained for a non-dimerized chain. One can infer, therefore, that an organic material composed of strands of such chains will exhibit a dielectric constant that increases with sample perfection or with average chain length. The dielectric constant is also shown to increase significantly with temperature at temperatures well below the half gap at the Fermi level. This reflects the relatively large amount of polarization carried by the states in the vicinity of the Fermi level for the dimerized chain.     

Giant growth-plane optical anisotropy in wurtzite InN/GaN disk-in-wire structures

Using a combination of valence force-field molecular mechanics, 20-band sp³d⁵s^∗ atomistic tight-binding approach, and appropriate post-processing tools, we have studied the origin and nature of optical polarization anisotropy in semiconducting GaN/InN/GaN disk-in-wire structures having wurtzite crystal symmetry and varying InN disk thicknesses. True atomistic symmetry due to the presence of strong internal fields, coupled with quantum mechanical size quantization effects, results in unconventional characteristics in the electronic structure related to non-degeneracy in the excited P states and rotation (symmetry lowering) in the wavefunctions. The optical polarization ratio projected on the XY (growth) plane and, in particular, the transition rates have been shown to be strongly dependent on the crystal internal fields and the thickness of the InN disk.     

Effect of surface hydrogenation on the topological properties of multilayer graphene

We have investigated effects of surface hydrogenation on the topological properties of multilayer graphene by using density functional theory calculations and a tight-binding model. Hydrogen adsorption on a dimer site of a surface layer decouples the surface layer from the rest of the layers. Hydrogen adsorption on a nondimer site introduces a band mixing between the hydrogenated graphene and the rest of the graphene layers. The valley Hall effects and spin-valley-resolved Chern numbers of multilayer graphene, calculated as a function of the sublattice potential and the potential perpendicular to the layers, was found to be sensitive to details of inversion symmetry-breaking potentials. While the topological invariant depends on the adsorption site and spin polarization, surface-hydrogenated M-layer graphene was found to be topologically equivalent to (M-1)-layer graphene under inversion symmetry-breaking potentials regardless of the adsorption site.     

Valley polarized electronic transport through a line defect in graphene: An analytical approach based on tight-binding model

We develop a tight-binding theory to study the electronic transport through an extended line defect in monolayer graphene. After establishing an analytical expression of the transmission probability, we clarify the following issues concerning the valley polarization in the electronic transport process. Firstly, we find that the valley polarization is robust in the total linear dispersion region. More interestingly, we find that the lattice deformation around the line defect play an important role in tuning the incident angle for complete transmission. Finally, we indicate that next nearest neighbor interaction only causes a small suppression to the valley polarization.     

Fine Structure of Levels and Piezospectroscopy of A<Superscript>+</Superscript> Centers in GaAs/AlGaAs Quantum Wells

Experimental and theoretical piezospectroscopic investigation of A⁺ centers in GaAs/AlGaAs quantum wells doped with beryllium is presented. Spectra of linearly polarized photoluminescence are studied experimentally depending on applied uniaxial pressure. A model of the A⁺ center in the quantum well in the presence of uniaxial deformation in the plane of the quantum well has been constructed. Analytical expressions for the level energy, optical transition intensities, and polarization ratio have been obtained. In the framework of the proposed theory, the experimentally observed change in the polarization ratio depending on pressure and the shift of the line maximum towards short waves are explained.     

Comparison of Raman spectra and vibrational density of states between graphene nanoribbons with different edges

Vibrational properties of graphene nanoribbons are examined with density functional based tight-binding method and non-resonant bond polarization theory. We show that the recently discovered reconstructed zigzag edge can be identified from the emergence of high-energy vibrational mode due to strong triple bonds at the edges. This mode is visible also in the Raman spectrum. Total vibrational density of states of the reconstructed zigzag edge is observed to resemble the vibrational density of states of armchair, rather than zigzag, graphene nanoribbon. Edge-related vibrational states increase in energy which corroborates increased rigidity of the reconstructed zigzag edge.     

Spin-dependent recombination in GaAsN solid solutions

Room-temperature spin-dependent recombination in a series of GaAs_1?xN_x solid solutions (x = 2.1, 2.7, 3.4%) has been observed as manifested by a more than threefold decrease in intensity of the edge photoluminescence upon switching from circular to linear polarization of the exciting light or upon the application of a transverse magnetic field (～300 G). The interband absorption of the circularly polarized light is accompanied by the spin polarization of conduction electrons, which reaches 35% with an increase in the pumping level. The observed effects are explained in terms of the dynamic polarization of deep paramagnetic centers and the spin-dependent trapping of conduction electrons on these centers. The electron spin relaxation time, as estimated from the dependence of the edge photoluminescence depolarization in the transverse magnetic field (the Hanle effect) on the pumping intensity, is on the order of 1 ns. According to the adopted theory, the electron spin relaxation time in the presence of spin-dependent recombination is determined by a slow spin relaxation of localized electrons. The sign (positive) of the g factor of localized electrons has been experimentally determined from the direction of the magnetic-field-induced rotation of their average spin observed in the three GaAsN crystals studied.     

第一性原理研究3C-SiC/Mg复合材料界面的电子结构

基于密度泛函理论的第一性原理平面波赝势方法对4种3C-SiC(111)/Mg(0001)界面模型进行研究.界面间距和粘附功的计算表明,结构优化之后的界面模型只在z轴方向发生了移动,界面间距发生了不同程度的缩短;中心型模型的稳定性强于顶位型模型,C终端结构的稳定性强于Si终端结构,中心型C终端的界面模型具有最大的粘附功(2.5834 J/m~2)和最小的界面间距(1.7193?),是4种模型中最稳定的结构. Mulliken电荷、电荷密度分布、差分电荷密度和态密度的计算表明,中心性结构的Si终端和C终端模型界面处存在共价键、离子键和金属键.