利用光学薄膜模型研究垂直腔面发射激光器的光学特性

可以把垂直腔面发射激光器看作是多层光学薄膜,应用光学薄膜原理对其光学薄膜的特性进行了研究。计算分析了布拉格反射镜和谐振腔模的反射谱受器件结构变化的影响。通过利用菲涅耳系数矩阵法计算,得到了光在垂直腔面发射激光器器件结构中形成的驻波场分布。结果表明,利用菲涅耳系数矩阵法设计垂直腔面发射激光器的光学薄膜是一种快捷准确的方法。     

Magnetic properties,electronic structure,and optical properties of the filled skutterudite BaFe4Sb12

The magnetic properties, electronic structure, and optical properties of the filled skutterudite BaFe₄Sb₁₂ are calculated by the first-principles full-potential linearized augmented plane wave (FPLAPW) plus local orbital method. It is found that the local spin density approximation (LSDA) method appears more accurate than the generalized gradient approximation (GGA) method in calculating the electronic structures and optical properties of this compound. Furthermore, our calculated lattice constant and spin magnetic moments with the LSDA method are in overall better agreement with experiment. In contrast with recent experiment, our calculations are in good agreement with experimental reflectivity spectra and optical conductivity spectrum.     

Ab-initio calculations of the optical and magnetic properties of erbium silicide ErSi2

We present a computational method for the ab-initio study of the optical and magnetic properties using the augmented plane wave plus local orbitals (APW+lo) method. The calculations are presented within the local density (LDA) approximation. Erbium silicide (ErSi₂) is representative of the whole trivalent heavy-rare-earth disilicides family, and its study will provide information valid for all of them. Thus, the study of its optical and magnetic properties is very important, especially for the calculation of magneto-optical quantities. In this paper the optical and magnetic properties are well described. Up to now no theoretical study on optical and magnetic properties of ErSi₂ is available in the literature. We report theoretical calculations of the reel and imaginary parts of the dielectric function (DF), the refractive index and the extinction coefficient, the spectra of the reflectivity, the absorption coefficient, the energy-loss function (ELF), and the magnetic moments.     

Nonlinear optical properties of a three-dimensional anisotropic quantum dot

The linear and nonlinear optical properties in a three-dimensional anisotropic quantum dot subjected to a uniform magnetic field directed with respect to the $z$-axis have been investigated within the compact-density matrix formalism and the iterative method. The dependence of the linear and nonlinear optical properties on the characteristic frequency of the parabolic potential, on the magnetic field, and on the incident optical intensity is studied in detail. Moreover, taking into account the position-dependent effective mass, the dependence of the linear and nonlinear optical properties on the dot radius is investigated. The results show that the optical absorption coefficients (ACs) and refractive index (RI) changes of the anisotropic quantum dot (QD) are strongly affected by these factors, and the position effect also plays an important role in the optical ACs and RI changes of the anisotropic QD.     

Theoretical study of optical characteristics of multilayer coatings ZnO/CdS/CdTe using first-principles calculations

A new method for predicting optical characteristics of multilayer coatings based on calculated material properties is presented. This method combines the use of the full potential linear-augmented plane wave method (FP-LAPW) within the framework of the Density Functional Theory (DFT) and the optical matrix approach for modeling the multilayer assembly. The simulation process is applied to thin films of the II–VI semiconductors compounds. The optical constants of each thin film are determined by using the first principle calculations. Each layer is represented by the square Abeles matrix, including all necessary data in the calculation of the optical characteristics (as transmittance, reflectance and absorbance). The simulation of multilayer optical response includes the effect of thickness, light polarization and incident angle. The obtained results are helpful in the design of the multilayer systems with required properties.     

含苯乙烯桥侧链三枝分子的二阶非线性光学性质

采用密度泛函理论B3LYP/6-311+g(d,p)方法对含苯乙烯桥侧链均三嗪类衍生物的8个分子(Y1-Y8)进行几何构型优化,对其最优构型采用TD-DFT(TDB3LYP/6-311+g(d,p)),计算电子吸收光谱,用有限场FF方法及自编程序计算二阶非线性光学（NLO）性质。结果表明,8个分子的μ（或0）值为104数量级个原子单位(10-29 esu),显示出良好的二阶非线性光学性能。在其三支链的末端引入强供电子基团（如-N(CH3)2或-N(CH2CH3)2）比引入弱供电子基团及吸电子基团,更有利于改善体系的二阶非线性光学性质,从而可获得良好的非线性光学材料。     

A method for estimating optical properties of dusty cloud

Based on the scattering properties of nonspherical dust aerosol, a new method is developed for retrieving dust aerosol optical depths of dusty clouds. The dusty clouds are defined as the hybrid system of dust plume and cloud. The new method is based on transmittance measurements from surface-based instruments multi-filter rotating shadowband radiometer （MFRSR） and cloud parameters from lidar measurements. It uses the difference of absorption between dust aerosols and water droplets for distinguishing and estimating the optical properties of dusts and clouds, respectively. This new retrieval method is not sensitive to the retrieval error of cloud properties and the maximum absolute deviations of dust aerosol and total optical depths for thin dusty cloud retrieval algorithm are only 0.056 and 0.1, respectively, for given possible uncertainties. The retrieval error for thick dusty cloud mainly depends on lidar-based total dusty cloud properties.     

基于光学浮标的赤潮生消过程半分析监测方法

赤潮爆发时水体叶绿素a质量浓度升高,引起浮游植物吸收系数、光束总吸收系数等水体固有光学性质(IOP)的变化,并导致水体表观光学性质(AOP)的改变。海洋光学浮标可实现水体表观光学性质的定点连续时间序列观测,基于此发展相应的模型方法有望实现赤潮生消全过程的监测。利用一次赤潮生消过程的海洋光学浮标数据,发展了一种赤潮半分析监测方法。该方法首先由光学浮标数据得到的水体光谱漫衰减系数Kd(λ)和遥感反射率rrs(λ),结合经验确定的水下光场平均余弦进行水体光束总吸收系数a(λ)的半分析估算,然后再半分析反演浮游植物吸收系数aph(λ)和叶绿素a质量浓度。经检验,该方法估算a(675),aph(675)和叶绿素a质量浓度的中值相对误差分别为8.6%,34.9%和38.9%。将本方法与半分析方法(QAA)和统计回归方法进行了对比分析,本方法的优势在于反演精度较高,所采用的经验参数大都源自辐射传输理论计算、不依赖于浮标数据且对反演结果的影响有限。     

Nonlinear optical rectification of GaAs/Ga1-xAlxAs quantum dots with Hulthén plus Hellmann confining potential

We investigate the nonlinear optical rectification (NOR) of spherical quantum dots (QDs) under Hulthén plus Hellmann confining potential with the external tuning elements. Energy and wavefunction are determined by using the Nikiforov-Uvarov method. Expression for the NOR coefficient is derived by the density matrix theory. The results show that the applied external elements and internal parameters of this system have a strong influence on intraband nonlinear optical properties. It is hopeful that this tuning of the nonlinear optical properties of GaAs/Ga_1-xAl_xAs QDs can make a greater contribution to preparation of new functional optical devices.     

Electronic structure and optical properties of BiSI crystal

Electronic structure and optical properties of BiSI crystal were investigated by the full potential linearized augmented plane wave (FL-LAPW) method with density functional theory (DFT). The complex dielectric function and optical constants, such as optical absorption coefficient, refractive index, extinction coefficient, energy-loss spectrum and reflectivity, were calculated. The optical properties of BiSI crystal were studied experimentally by spectroscopic ellipsometry. The experimental results were compared with the theoretical spectra of complex dielectric functions and with the spectra of a pseudo-dielectric function (PDF). This method shows that experimental spectra consist of four Laurence lines sum.     

高压下AlN的电子结构和光学性质

运用密度泛函理论体系下的平面波赝势(PWP)和广义梯度近似(GGA)方法,利用第一性原理计算了不同压强下六方纤锌矿结构AlN晶体的晶格常数、总能量、电子态密度、能带结构、光反射系数与吸收系数。通过比较能带结构的变化行为,得出 AlN在16.7Gpa附近存在等结构相变,即由直接带隙结构转变为间接带隙结构。同时,结合高压下的态密度分布图和能级移动情况,分析了AlN在高压下的光学性质,吸收谱有向高能端移动(蓝移) 的趋势。     

高压下AlN的电子结构和光学性质

运用密度泛函理论体系下的平面波赝势(PWP)和广义梯度近似(GGA)方法，利用第一性原理计算了不同压强下六方纤锌矿结构AlN晶体的晶格常数、总能量、电子态密度、能带结构、光反射系数与吸收系数。通过比较能带结构的变化行为，得出 AlN在16.7Gpa附近存在等结构相变，即由直接带隙结构转变为间接带隙结构。同时，结合高压下的态密度分布图和能级移动情况，分析了AlN在高压下的光学性质，吸收谱有向高能端移动(蓝移) 的趋势。     

Polarization dependence of the optical absorption of single-walled carbon nanotubes

Anisotropic optical absorption properties of single-walled carbon nanotubes (SWNTs) are determined from a vertically aligned SWNT film for 0.5-6 eV. Absorption peaks at 4.5 and 5.25 eV are found to exhibit remarkable polarization dependence and have relevance to optical properties of graphite. A method for determining a nematic order parameter for an aligned SWNT film based on the collinear absorption peak at 4.5 eV is presented, followed by the determination of the optical absorption cross section.     

A novel method of rapidly modeling optical properties of actual photonic crystal fibres

<正>The flexible structure of photonic crystal fibre not only offers novel optical properties but also brings some difficulties in keeping the fibre structure in the fabrication process which inevitably cause the optical properties of the resulting fibre to deviate from the designed properties.Therefore,a method of evaluating the optical properties of the actual fibre is necessary for the purpose of application.Up to now,the methods employed to measure the properties of the actual photonic crystal fibre often require long fibre samples or complex expensive equipments.To our knowledge, there are few studies of modeling an actual photonic crystal fibre and evaluating its properties rapidly.In this paper,a novel method,based on the combination model of digital image processing and the finite element method,is proposed to rapidly model the optical properties of the actual photonic crystal fibre.Two kinds of photonic crystal fibres made by Crystal Fiber A/S are modeled.It is confirmed from numerical results that the proposed method is simple,rapid and accurate for evaluating the optical properties of the actual photonic crystal fibre without requiring complex equipment.     

Structural characterization of nanopatterned surfaces

In this work, chemically and topographically nanopatterned surfaces were produced by a top-down processing approach for biosensing devices. The nanopatterning was the result of the combination of plasma polymerisation (pp) of biofunctional materials and colloidal lithography techniques. The morphological and chemical properties induced by the plasma deposition-etching treatment were characterised by optical method combining ellipsometry and Fourier Transform Infrared spectroscopy studies. This method supported by atomic force microscopy measurements, allowed the full optical characterization of each step of the top-down process. The optical characterization of the end-up nanopatterned samples demonstrated that the chosen process is able to produce well-defined nanostructured surfaces with controlled chemical and morphological properties.     

生长条件和退火对金刚石薄膜光学性质的影响

提出一种分析微波等离子体化学气相沉积工艺条件对金刚石薄膜的组成和光学性质影响的方法。采用红外椭圆偏振光谱仪来分析Si衬底上金刚石薄膜的组成和光学性质，研究微波等离子体化学气相沉积法生长条件和退火工艺对金刚石薄膜的消光系数和折射率的影响。实验表明金刚石薄膜中存在C—H、C=C、O—H和C=O键，生长条件对薄膜中C—H和C=C键的含量及薄膜的折射率影响较大；薄膜经过退火后薄膜的光学性质得到明显改善。     

用吸收差谱研究电子俘获材料的光激励发光

以SrS:Eu, Sm为例说明可以利用电子俘获材料在光激发前后的吸收谱的差别来获取电子俘获材料光激励发光的信息。电子俘获材料在激发后的吸收光谱同时包含了不同陷阱(杂质)对光激励的吸收情况。因此激发前后的吸收光谱差(吸收差谱)除了能给出与光激励谱相同的信息外,还包含空穴陷阱的激励,光存储总量等信息,因此有助于更全面地了解材料的光激励发光过程。     

Fast perturbation Monte Carlo method for photon migration in heterogeneous turbid media

We present a two-step Monte Carlo (MC) method that is used to solve the radiative transfer equation in heterogeneous turbid media. The method exploits the one-to-one correspondence between the seed value of a random number generator and the sequence of random numbers. In the first step, a full MC simulation is run for the initial distribution of the optical properties and the "good" seeds (the ones leading to detected photons) are stored in an array. In the second step, we run a new MC simulation with only the good seeds stored in the first step, i.e., we propagate only detected photons. The effect of a change in the optical properties is calculated in a short time by using two scaling relationships. By this method we can increase the speed of a simulation up to a factor of 1300 in typical situations found in near-IR tissue spectroscopy and diffuse optical tomography, with a minimal requirement for hard disk space. Potential applications of this method for imaging of turbid media and the inverse problem are discussed.     

生物组织的可见光与近红外光散射模型

对生物组织光学模型尤其是光散射特性进行了研究, 发现可以利用等效粒子数密度的粒度分布更精确地了解生物组织的光散射性质。在夫琅和费衍射近似下, 散射系数和散射相函数可以由等效粒子数密度的粒度分布得到。基于粒子粒度光散射测量技术, 所得结果可给出一种新的可行的测量生物组织光学性质参数的方法。     

Electronic and optical properties of black phosphorus doped with Au,Sn and I atoms

In this study, the electronic and the optical properties of monolayer black phosphorus (BP) doped with Gold (Au), Tin (Sn) and Iodine (I) atoms have been investigated by the density-functional theory (DFT) method. In the calculations, the electronic and the optical properties of monolayer BP have been substantially changed with doping. Monolayer BP has a narrow bandgap as 0.85 eV, BP doped with these atoms, results in a metallic behaviour and nearly spin gapless band gap behaviour. The dielectric constant of BP which shows anisotropic optical properties due to different edge states as zigzag and armchair has been changed with doping especially with Au.