超高数值孔径Schwarzschild投影光刻物镜的光学设计

针对45nm及以下节点光刻相关技术的研究需求,确定了实验型投影光刻物镜的结构型式及设计指标。依据像差理论在非同心小遮拦的Schwarzschild反射系统中添加折射补偿镜组来进一步减小系统的中心遮拦,扩大像方数值孔径。设计了一套小中心遮拦,数值孔径为1.20的Schwarzschild折反式投影光刻物镜。设计结果表明,该投影光刻物镜工作带宽为100pm,像方视场为50μm,线中心遮拦比为13%,光学分辨力为80nm时(6240lp/mm)的系统调制传递函数大于0.45,全视场最大畸变为6.5nm,满足了45nm深紫外(DUV)浸没光刻实验平台对投影光刻物镜的需求。     

CASPT2 and CCSD(T) calculations of dipole moments and polarizabilities of acetone in excited states

The acetone molecule is investigated in its ground state and valence ^1,3n-π*, ^1,3π-π*, and ^1,3σ-π* excited states and Rydberg ^1,3n-3s, ^1,3π-3?, ^1,3n-3p_y and ^1,3π-3p_y states using the CASSCF, CASPT2, and CCSD(T) methods. Equilibrium geometries of excited states are obtained and their changes with respect to the ground state are discussed. For most excited states the C_2v symmetry of the ground state is lowered to the C_s symmetry. A series of valence vertical and adiabatic excitation energies is presented along with excitation energies for Rydberg states. The main body of the paper contains Finite-Field Perturbation Theory (FFPT) calculations of electric properties of the vertically as well as geometry relaxed excited states. Dipole moments of valence excited states decrease significantly upon excitation, being about one half of the ground state dipole moment. Polarizabilities usually change upon excitation much less (increase by about 30%) but hyperpolarizabilities are enhanced up to one or two orders of magnitude. The orientation of the dipole moment is reversed in some vertically excited Rydberg states. Properties of the ground and excited states are discussed considering alterations of the electronic structure and shifts in the geometry.     

Nonstationary Theory of Perturbations for Open-Shell Atoms in the Hartree–Fock Approximation

For a multielectron open-shell system exposed to an external time-dependent perturbation, the Hartree–Fock nonstationary equations are obtained in terms of density operators. Using them as a basis, equations of nonstationary coupled perturbation theory are suggested in orbital representation within the framework of the two-operator variant of the Roothaan method for an open shell. The perturbation theory corrections to the orbitals have been found in the form of expansions in unperturbed orbitals which are assumed to be calculated in the LCAO approximation in the basis of Slater-type atomic orbitals. The dynamic polarizability of open-shell atoms of substances from Li to F and Sc has been calculated as an even-power series of the frequency of incident radiation.     

Effect of substituents on ionization potentials of phosphorus compounds. Conjugation in radical cations

The first vertical ionization potentials (I) of phosphorus compounds P(X_i)₃, OP(X_i)₃, SP(X_i)₃, (4-XC₆H₄)₃P, and PCX are related to the inductive, resonance, and polarizability parameters of inorganic, organic, and organometallic substituents X by dependences of the type I = I _H + a_I + b_R ⁺ + c, where I _H is the I value for X = H. The I values are also affected by hyperconjugation. The ratio of the contributions of the resonance (b_R ⁺) and polarizability (c) effects to the I value is determined by the degree of delocalization of the unpaired electron and the positive charge in the radical cations formed upon ionization of neutral molecules. The _R ⁺ resonance parameters of organosilicon, organogermanium, and organotin substituents bound to the P ^·+ radical cation center were calculated for the first time.     

Estimation of electrostriction coefficients of a nonlinear optical polymer electret

The effect of organic chromophores incorporated into a polymer electret and responsible for its nonlinear optical (NLO) response to an applied electric field on the electrostriction coefficients (ESC) of the material is studied. Analytical expressions for the ESC were derived in the framework of a model proposed earlier, which includes the effect of a locally anisotropic, polarizable and deformable environment on the electric characteristics of the chromophore. The dependence of the ESC on both macroscopic and microscopic parameters of the molecular system is established. Numerical estimates of the ESC for poly(methyl methacrylate) doped with the dye Disperse Red 1 and dimethylaminonitrostilbene-doped polycarbonate agree with experimental data in order of magnitude. The relations obtained can be used in the design of novel organic NLO materials. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1324–1329, July, 2008.