背景辐射与光子平衡态

背景辐射与光子平衡态张邦固（科学出版社北京１００７１７）ＢａｃｋｇｒｏｕｎｄＲａｄｉａｔｉｏｎａｎｄＰｈｏｔｏｎＥｑｕｉｌｉｂｒｉｕｍＳｔａｔｅＺｈａｎｇＢａｎｇｇｕ（ＳｃｉｅｎｃｅＰｒｅｓ,Ｂｅｉｊｉｎｇ１００７１７）ＡｂｓｔｒａｃｔＴｈｅＢａｃ...     

MBE和MOCVD生长的AlGaAs／GaAsGRIN—SCH SQW激光器深中心的比较

应用深能级瞬态谱（ＤＬＴＳ）技术详细研究分子束外延（ＭＢＥ）和金属有机物化学汽相淀积（ＭＯＣＶＤ）生长的ＡｌＧａＡｓ／ＧａＡｓ ｇｒａｄｅｄ ｉｎｄｅｘ ｓｅｐａｒａｔｅ ｃｏｎｆｉｎｅｍｅｎｔ ｈｅｔｅｒｏｓｔｒｕｃｔｕｒｅ ｓｉｎｇｌｅ ｑｕａｎｔｕｍ ｗｅｌｌ（ＧＲＩＮ－ＳＣＨ ＳＱＷ）激光器的深中心。结果表明，在激光器的ｎ－ＡｌＧａＡｓ层里除众所周知的ＤＸ中心外，还存在着较大浓度和俘获截面     

Optical Associative Memory Based on Double Phase Conjugation Using Bi_（12）TiO_（20） Photorefractive Fi

ＯｐｔｉｃａｌＡｓｓｏｃｉａｔｉｖｅＭｅｍｏｒｙＢａｓｅｄｏｎＤｏｕｂｌｅＰｈａｓｅＣｏｎｊｕｇａｔｉｏｎＵｓｉｎｇＢｉ＿（１２）ＴｉＯ＿（２０）ＰｈｏｔｏｒｅｆｒａｃｔｉｖｅＦｉｂｅｒ￥ＬＩＵＳｈｕｔｉａｎ（ＤｅｐａｒｔｍｅｎｔｏｆＰｈｙｓｉｃｓ，...     

用VB开发AutoCAD for Windows的ADS应用程序

介绍了Ｗｉｎｄｏｗｓ环境下用ＶｉｓｕａｌＢａｓｉｃ（以下简称ＶＢ）开发ＡｕｔｏＣＡＤ的ＡＤＳ应用程序的方法，并给出了应用实例。     

天然脱氧核糖核酸分子中碱基价键的振动变化

天然脱氧核糖核酸分子中碱基价键的振动变化余多慰，柯惟中（南京师范大学南京２１００９７）ＲａｍａｎＣｈａｒａｃｔｅｒｉｓｔｉｃＡｎａｌｙｓｅｓｏｆＴｈｅＴｗｏＣｏｖａｌｎｅｃｅＢｏｎｄｓｂｙＴｈｅＢａｓｅＳｌｄｅｏｆＧｌｙｃｏｓｉｄｌｃＢｏｎｄｉｎＤＮ...     

背散射及在线分析

背散射及在线分析盛京，周家敏（天津大学材料工程与科学系天津３０００７２）ＢａｃｋｓｃａｔｔｅｒｉｎｇａｎｄＯｎ－ｌｉｎｅＡｎａｌｙｓｉｓ￥ＪｉｎｇＳｈｅｎｇａｎｄＪｉａｍｉｎＺｈｏｕ（ＤｅｐａｒｔｍｅｎｔｏｆＭａｔｅｎａｌｓＳｃｉｅｎｃｅａｎｄＥｎｇ...     

Stimulated Brillouin scattering（SBS） excited with a phase－modulated pump laser

Ｓｔｉｍｕｌａｔｅｄ Ｂｒｉｌｌｏｕｉｎ ｓｃａｔｔｅｒｉｎｇ（ＳＢＳ） ｅｘｃｉｔｅｄ ｗｉｔｈ ａ ｐｈａｓｅ－ｍｏｄｕｌａｔｅｄ ｐｕｍｐ ｌａｓｅｒ￥ＷＥＮＧｕｏｊｕｎ；ＱＩＡＮＬｉｅｊｉａ；ＬＵＪｕｎｘｉａｏ；ＦＡＮＤｉａｎｙｕａｎ；ＤＥＮ...     

Birefringence of (Al)GaAs/AlGaAs multiplequantum well optical waveguides

Ｂｉｒｅｆｒｉｎｇｅｎｃｅｏｆ（Ａｌ）ＧａＡｓ／ＡｌＧａＡｓｍｕｌｔｉｐｌｅｑｕａｎｔｕｍｗｅｌｌｏｐｔｉｃａｌｗａｖｅｇｕｉｄｅｓ￥ＭＡＣｈｕｎｓｈｅｎｇ（ＤｅｐａｒｔｍｅｎｔｏｆＥｌｅｃｔｒｏｎｉｃＥｎｇｉｎｅｅｒｉｎｇ，ＮａｔｉｏｎａｌＩｎｔｅ...     

Amplified Spontaneous Emision of K_2 Yellow Band Excimer and Its Gain Measurement by e-beam-pumping

ＡｍｐｌｉｆｉｅｄＳｐｏｎｔａｎｅｏｕｓＥｍｉｓｉｏｎｏｆＫ２ＹｅｌｏｗＢａｎｄＥｘｃｉｍｅｒａｎｄＩｔｓＧａｉｎＭｅａｓｕｒｅｍｅｎｔｂｙｅ┐ｂｅａｍ┐ｐｕｍｐｉｎｇＸＩＮＧＤａ１）ＷＡＮＧＱｉ２）ＴＡＮＳｈｉｃｉ１）（１）Ｉｎｓｔｉｔｕｔｅｏｆ...     

Research on Injection-seeded β-BaB_2O_4 Optical Parameteric Oscillator

ＲｅｓｅａｒｃｈｏｎＩｎｊｅｃｔｉｏｎ┐ｓｅｅｄｅｄβ┐ＢａＢ２Ｏ４ＯｐｔｉｃａｌＰａｒａｍｅｔｅｒｉｃＯｓｃｉｌａｔｏｒＺＨＡＯＹｏｎｇｈｕａＨＥＨｕｉｊｉｕａｎＷＡＮＧＺｈｉｊｉａｎｇ（ＳｈａｎｇｈａｉＩｎｓｔｉｔｕｔｅｏｆＯｐｔｉｃｓａｎｄＦｉ...     

Laser spectroscopy of jet－cooled CuF in visible region

The laser-induced fluorescence excitation spectra of jet-cooled CuF have been recorded in the range of 19000－21470cm^{-1}, in which the CuF radicals were produced by the reaction of SF_6 with copper atoms from a dc discharge-sputtering source under supersonic jet conditions. Eight observed vibronic transition bands have been assigned as the transition from the ground state X(^1Σ^+) to B(^1Σ^+), C(^1Π) and an unreported upper state. The rotational structure of all observed bands has been analysed at the estimated rotational temperature 80K. We determined the newly observed band to be the (^1Π, v=1)－X(^1Σ^+v=0) transition according to the character of the rotational structure and the isotopic shift analysis. In addition, the lifetimes of the states involved in these bands were measured.     

The Rotational Spectra, Isotopically Independent Parameters, and Interatomic Potentials for the X(1)(2)Pi(3/2) and X(2)(2)Pi(1/2) States of BrO

Observations of the rotational spectrum of BrO have been extended to include vibrational levels up to v = 8 in the X(1)(2)Pi(3/2) and v = 7 in the X(2)(2)Pi(1/2) states. The rotational spectra of isotopically enriched Br(18)O, X(1), v = 0, 1 and X(2), v = 0 have been observed as well. The spectra of all four isotopic species have been fit to a Hamiltonian in which the parameters have fixed isotopic ratios. An extensive set of isotopically independent parameters has been determined. Interatomic potentials have been derived for both the X(1) and X(2) states. The hyperfine constants and their vibrational dependencies have been determined more precisely and several of them have been determined for the first time. These are interpreted in terms of the electronic structure of the molecule. The isotope relations among the constants have provided a means of decorrelating the electron spin-rotation constant gamma from the fine-structure centrifugal distortion constant, A(D), and have allowed the first determination of an effective value for gamma. Copyright 2001 Academic Press.     

N_2(B~3Ⅱ_g)高振动态在Xe原子中的碰撞激发和弛豫

在用双光子激发产生的Xe(5p~56p)原子与N_2分子碰撞过程中,有效地生成了N_2(B~3П_g,v=9～14)振动激发态.观察到相应的Δv=4的N_2(B~3П_g-A~3∑_u~+)辐射跃迁萤光,测量了Xe(6p)原子在N_2中的淬灭速率常数,对碰撞弛豫过程进行了讨论.     

Electron-phonon interaction in tetrahedral semiconductors

Considerable progress has been made in recent years in the field of ab initio calculations of electronic band structures of semiconductors and insulators. The one-electron states (and the concomitant two-particle excitations) have been obtained without adjustable parameters, with a high degree of reliability. Also, more recently, the electron-hole excitation frequencies responsible for optical spectra have been calculated. These calculations, however, are performed with the constituent atoms fixed in their crystallographic positions and thus neglect the effects of the lattice vibrations (i.e. electron-phonon interaction) which can be rather large, even larger than the error bars assumed for ab initio calculations.Effects of electron-phonon interactions on the band structure can be experimentally investigated in detail by measuring the temperature dependence of energy gaps or critical points (van Hove singularities) of the optical excitation spectra. These studies have been complemented in recent years by observing the dependence of such spectra on isotopic mass whenever different stable isotopes of a given atom are available at affordable prices. In crystals composed of different atoms, the effect of the vibration of each separate atom can thus be investigated by isotopic substitution. Because of the zero-point vibrations, such effects are present even at zero temperature (T=0).In this paper, we discuss state-of-the-art calculations of the dielectric function spectra and compare them with experimental results, with emphasis on the differences introduced by the electron-phonon interaction. The temperature dependence of various optical parameters will be described by means of one or two (in a few cases three) Einstein oscillators, except at the lowest temperatures where the T⁴ law (contrary to the Varshni T² result) will be shown to apply. Increasing an isotopic mass increases the energy gaps, except in the case of monovalent Cu (e.g. CuCl) and possibly Ag (e.g. AgGaS₂). It will be shown that the gaps of tetrahedral materials containing an element of the first row of the periodic table (C,N,O) are strongly affected by the electron-phonon interaction. It will be conjectured that this effect is related to the superconductivity recently observed in heavily boron-doped carbon.     

Rotational spectrum of ONCl in the (0, 0, 1) and (0, 1, 0) vibrational states and “b” type spectrum in the ground state. Comparison of force field obtained by different combinations of experimental data

From the rotational spectrum of ONCl in (0, 0, 1) and (0, 1, 0) excited vibrational states the inertia defects in these states have been determined. The “b” type rotational spectrum in the ground state has also been measured allowing the determination of Δ⁰ and of all the first-order centrifugal distortion constants.It is shown that by using differences of inertia defects Δ₂ and Δ₃ together with centrifugal distortion constants which do not involve the planarity relations and with harmonic vibrational frequencies of two isotopic species, the harmonic vibrational frequencies of two other isotopic species can be satisfactorily predicted.By using only inertia defects differences Δ₂ and Δ₃ as extra data, a definite choice can be made among the three sets of force constants which equally well reproduce the harmonic frequencies of four isotopic species.     

Crystal and molecular structure of 2‐aminopyridinium‐ 4‐hydroxybenzenosulfonate—IR and Raman spectra,DFT calculations and physicochemical properties

A new organic–organic salt, 2‐aminopyridinium‐4‐hydroxybenzenosulfonate, has been synthesised and characterised by means of FT‐IR and FT‐Raman spectroscopies, differential scanning calorimetry (DSC) and single crystal X‐ray crystallography. Its vibrational spectra have been discussed on the basis of quantum chemical density functional theory (DFT) calculations using the B3LYP/6‐31G(d,p) approach. The role of the intermolecular interactions in this crystal is analysed. The N HċċċO interactions between the hydrogen atoms of the pyridinium cation and oxygen atoms of hydroxybenzenosulfonate anion built the supramolecular arrangement in three‐dimensional space. Copyright © 2008 John Wiley & Sons, Ltd.     

含MoFe3S4单元的μ2—OR或μ2—SR桥联双类立方烷簇合物的红？…

对下列含ＭｏＦｅ３Ｓ４单元的μ２－ＯＲ或μ２－ＳＲ桥联双类立方烷簇合物的红外光谱进行了研究：（Ｅｔ４Ｎ）３「Ｍｏ２Ｆｅ６Ｓ８Ｃｌ６（ＯＭｅ）３」（１）,（Ｅｔ４Ｎ）３「Ｍｏ２Ｆｅ６Ｓ８（ＳＰｈ）６（ＯＭｅ）３」（２）,（Ｂｕ４Ｎ）３「Ｍｏ２Ｆｅ６Ｓ８（ＳＰｈ）６（ＯＭｅ）３」（３）（Ｅｔ４Ｎ）３「Ｍｏ２Ｆｅ６Ｓ８（ＳＢｕ＾ｔ）６（ＯＭｅ０３」（４）ｍ,（Ｅｔ４Ｎ）３「Ｍｏ２Ｆｅ６Ｓ８（ＳＰｈ）９」     

Matrix isolation infrared observation of N3 using a nitrogen microwave discharge plasma source

The asymmetric stretching band of the N₃ radical in a nitrogen matrix at 1657.5?cm^?1 has been observed by directing the output of a nitrogen microwave discharge plasma source onto a CsI window at 12?K. The identification and assignment of this band to the N₃ radical has been accomplished by performing isotopic experiments, matrix annealing experiments, and photolysis experiments. The observed N₃ band positions are compared to literature frequencies observed in matrix isolation experiments using other generation sources and to literature theoretical frequencies calculated using high level ab initio and density functional theory methods. Temperature-dependent deposition experiments (10–20?K) and additional isotopic discharge plus co-deposition experiments are also performed in an effort to determine if the N₃ radical is being formed in the gas phase or by matrix surface reactions, and in order to gain insight into the reaction mechanism. After considering all of the mechanistic evidence (temperature-dependent and isotopic discharge/co-deposition spectra, theoretical reaction energetics, gas phase reaction kinetics, isotopic N₃ distributions), it is concluded that the N₃ radicals are being formed from the reaction of N(²D) atoms with vibrationally excited N₂ molecules in the nitrogen matrix via a linear (end-on) pathway.     

Vibrational Spectroscopic Investigation and Theoretical Calculations of (E)-3-Phenyl-N-[4-(Phenyl-Amino) Quinazoline-7-yl] Acrylamide

ABSTRACT

Optimized geometrical structure and harmonic vibration frequencies of prior synthesized (E)-3-phenyl-N-[4-(phenyl-amino) quinazoline-7-yl] acrylamide were computed by ab initio HF and DFT/B3LYP methods using both 6-31G* and 6-311G** basis sets and the Moller–Plesset second-order perturbation (MP2) method merely at the 6-31G* level. The infrared (IR) spectrum of the title compound has been measured in the range of 400–4000 cm^?1. Complete vibrational assignments of the IR spectra were proposed. Moreover, the calculated wavenumbers of the title compound were compared with the experimental data. The correlation analyses indicate that good linearity relationships exist between the scaled theoretical vibration frequencies and the experimental values. Additionally, the atoms in molecules (AIM) method was applied to explore the possible intramolecular interactions in the title compound.     

73Ge NMR spectra in germanium single crystals with different isotopic composition

We have studied the influence of isotopic disorder on the local deformations in Ge single crystals from both experimental and calculation points of view. The nuclear magnetic resonance (NMR) spectra of⁷³Ge nuclei (the nuclear spin equals 9/2) in perfect single crystals of germanium with different isotopic content were measured at temperatures 80, 300 and 450 K. Abnormal broadening of the spectrum was found to occur when the magnetic field was aligned along the [111] axis of a crystal. The observed specific angular dependence of the quadrupole broadening was attributed to isotopic disorder among atoms of germanium sited around the⁷³Ge NMR probe. Local lattice deformations in germanium crystal lattice due to isotopic impurity atoms were calculated in the framework of the adiabatic bond charge model. The results obtained were applied to study random noncubic crystal field interactions with the nuclear quadrupole moments and corresponding effects in NMR spectra. Simulated second and fourth moments of resonance frequency distributions caused by the magnetic dipole-dipole and electric quadrupole interactions are used to analyze the lineshapes, theoretical predictions agree qualitatively with the experimental data.