正磷酸盐晶体Ba3(PO4)2和Sr3(PO4)2高温拉曼光谱研究

测量了碱土金属正磷酸盐Ba₃(PO₄)₂和Sr₃(PO₄)₂常温及高温拉曼光谱, 对拉曼振动模式进行指认, 并分析了晶体拉曼振动光谱及晶体结构在高温下的变化. 在温度升高的过程中, 拉曼振动频率向低频移动且振动峰宽度展宽, 晶体中的P-O平均键长随温度升高而变长, 但O-P-O的键角并未发生变化. 晶体在900 ℃以下无结构相变发生. 关键词： 3(PO₄)₂和Sr₃(PO₄)₂')" href="#">Ba₃(PO₄)₂和Sr₃(PO₄)₂ 高温拉曼光谱 振动模式 高温结构     

K2OsO2(OH)4低温拉曼光谱研究

本工作获得了低温下锇酸钾K₂OsO₂(OH)₄的拉曼光谱,并对其声子行为进行了研究。在低温下,K₂OsO₂(OH)₄的拉曼光谱信噪比和展宽都得到改善,由晶胞收缩引起的晶体场扰动使位于高波段的ν₁模分裂为ν′₁和ν″₁两个振动模;而晶体中氢键体系取向的重定向行为使ν₂模在低温下发生了不连续变化。     

Er3+，Tm3+共掺的NaY(WO4)2晶体的光谱分析和上转换发光

在室温下，测量了Er:Tm:NaY(WO₄)₂晶体的吸收光谱、激发光谱、发射光谱以及上转换发光，并运用J-O理论对测量的结果进行了计算，得出了Er:Tm:NaY(WO₄)₂晶体的强度参数.报道了Tm，Er离子间特殊的能量传递和相关上转换，解释了离子间的能级跃迁过程.同时，对于Er增强Tm离子近红外发光的特性也作了充分研究. 关键词： 4)₂晶体')" href="#">Er:Tm:NaY(WO₄)₂晶体 吸收光谱 发射光谱 激发光谱 上转换     

MgF2单晶的THz光谱研究

利用THz时域光谱技术对MgF₂晶体(样品1)和MgF₂：Co晶体(样品2)在0.5—2.5 THz的吸收特性进行了研究.在0.5—2.5 THz波段，样品1吸收系数α(ν)随频率ν增加而增大，最大值为24 cm^-1.样品2的吸收系数比样品1大得多，Co掺杂使晶格吸收带边向低频移动，而且样品2在1.9 THz有吸收峰，吸收系数达到70 cm^-1，由此求出F^--Co²⁺离子键伸缩振动的键力常数K为3.40×10^-2　N/cm.这一结果表明，THz光谱分析有可能成为研究晶体化学键的一种重要手段.利用光学常数之间的关系计算了两个样品在0.5—2.5 THz的介电函数的实部ε₁(ν)，得到样品1的ε₁(ν)值在4.67至4.73之间，样品2的ε₁(ν)值在4.62至5.01之间. 关键词： THz辐射 光谱 2晶体')" href="#">MgF₂晶体     

Li2O-2B2O3熔体的物性研究

系统测量了四硼酸锂(Li₂Ｏ-２Ｂ_２Ｏ_３)熔体的密度ρ、表面张力γ随着温度的变化规律，实验结果表明在1100K到1500K范围内Li₂Ｏ-２Ｂ_２Ｏ_３高温熔体的密度和表面张力随着温度的升高均线性减小.通过实验数据拟合得出熔体密度与温度关系为ρ(T)=2.574—4.89×１０^－４T，熔点处Li₂Ｏ-２Ｂ_２Ｏ关键词： 功能晶体 四硼酸锂 密度 表面张力     

Ba10(PO4)4(SiO4)2∶Eu2+荧光体的光谱特性

采用高温固相法合成了荧光体Ba₁₀（PO₄）₄（SiO₄）₂：Ce³⁺和Ba₁₀（PO₄）₄（SiO₄）₂：Eu²⁺,研究了两种荧光体的光谱特性。结果表明,两者都呈现较强的宽带激发特征。根据同种基质中Eu²⁺和Ce³⁺两种离子光谱特征的相关性,通过测得的Ba₁₀（PO₄）₂（SiO₄）₂基质中Ce³⁺的光谱数据估算了Ba₁₀（PO₄）₂（SiO₄）₂：Eu²⁺中Eu²⁺的斯托克斯位移（ΔS）和激发能量,估算结果与Ba₁₀（PO₄）₂（SiO₄）₂：Eu²⁺样品的光谱分析结果十分吻合。Ba₁₀（PO₄）₂（SiO₄）₂：Eu²⁺可以同时被紫光和蓝光激发,发出偏白的绿光,可用作白光LED的荧光粉。     

Ll2超导体的Tc表达式

通过对L1₂超导体的研究,我们得出了这类超导体临界温度的表达式T_c=(15.9T_BV(B)G_A)/(M^1/2V(L1₂)G_B)。其中T_B是B组元的超导转变温度,V(B)是B组元的原子体积,V(L1₂)为L1₂化合物的平均原子体积,M是L1₂化合物的平均原子量,G_A,G_B分别为A组元、B组元的Gordy电负性值。 关键词：     

Li2SO4—Li2B2O4,Li2SO4—(NH4)2SO4赝二元系相图及离子导电性研究

本文用差热分析和X射线衍射方法对Li₂SO₄-Li₂B₂O₄和Li₂SO₄-[NH₄]₂SO₄两个赝二元系相图进行了研究。Li₂SO₄-Li₂B₂O₄是共晶体系,共晶温度为720℃ 关键词：     

激光诱导荧光法研究CH2Cl2分子的振动能量转移

本文中用激光诱导荧光法首次研究了有机分子CH₂Cl₂分子的振动能量转移。实验测得了CH₂Cl₂分子的ν₃和ν₃/ν₉振动模的激活和消激活速率常数,以及稀有气体分子对CH₂Cl₂分子的ν₃/ν₉振动模消激活的影响。用SSH理论计算了CH₂Cl₂-稀有气体碰撞,CH₂Cl₂分子ν₃/ν₉的V-T能量转移相对几率,分析讨论了CH₂Cl₂分子的振动能量转移的通道。 关键词：     

非晶态超导体的2△0/(kBTc)和声子谱参量

提出了能够很好地描述非过渡金属无序和非晶态超导体的2Δ₀/(k_BT_c)与声子谱参量之间关系的一个公式:2Δ₀(k_BT_c=4.95[1-(T₀<ω>^1/2)/A(1/(λω₀)+1/(20λ<ω>)+1/(20<ω>))]。计算了大量已知声子谱的非晶和无序超导体的能隙2Δ₀对T_c的比,结果表明在百分之几的范围内与实验值符合。指出了非过渡金属和合金的非晶态超导体,既可以是一个2Δ₀/(k_BT_c)值远大于BCS理论值(3.53)的强耦合超导体,也可以是一个2Δ₀/(k_BT_c)值比BCS理论值还要小得多的弱耦合超导体。 关键词：     

Largeurs des raies spectrales de CO autoperturbe et perturbe par N2, O2, H2, HCI,NO et CO2

Linewidths of CO self-broadening and broadened by N₂, O₂, H₂, HCI, NO, and CO₂ have been calculated using different contributions in the intermolecular dispersion potential.The quadrupole moment of some perturbers has been determined by comparison between calculated and observed linewidths. The values obtained for the quadrupole moments may depend on the dispersion potential, especially when it is low (as is the case for N₂, O₂ and H₂). For CO-CO and CO-NO, the electrostatic interactions including the octupole moment yield good results for the linewidths for high |m|-values.     

The chemisorption of CO,CO2, C2H2, C2H4, H2 and NH3 on the clean Fe(100) and (111) crystal surfaces

The chemisorption of small molecules (CO, CO₂, C₂H₂, C₂H₄, H₂ and NH₃) has been studied on the clean Fe(110) and (111) crystal faces by low-energy electron diffraction (LEED) and thermal desorption. C₂H₄ and C₂H₂ yield the same sequence of surface structures that change with temperature and crystal orientation. CO and CO₂ chemisorption similarly results in the formation of the same types of surface structures that change with surface temperature and crystal orientation. Ammonia forms several ordered surface structures on both iron crystal faces. All of the molecules decompose as a function of temperature on the iron surfaces as indicated by the Auger and thermal desorption spectra.     

The influence of structural defects on the adsorption of simple molecules (H2, C2H2, C2H4, C2H6, CO,NO) on rhenium single crystals

Using Thermal Programmed Desorption (TPD), Low Energy Electron Diffraction (LEED) and Auger Electron Spectroscopy (AES) we have studied the adsorption of hydrogen-containing molecules (H₂, C₂H₂, C₂H₄, C₂H₆) and oxygen-containing molecules (CO and NO) on two vicinal planes of the Re(0001) surface. The two surfaces are designated thus: ReS ¦14(0001)(101&#x0304;1)¦, ReS |6(0001)(167&#x0304;1) | . The structural defects have little effect on the adsorption of hydrogen and the hydrocarbons. They are more influential in the case of the oxygen-containing molecules. This is particularly true for CO; on the kink sites the CO molecules can completely dissociate whereas only a partial dissociation is possible on the steps. These results should be viewed in relation to the strong bond energy between carbon and oxygen in a CO molecule of 256 kcal/mole and the great affinity of oxygen for rhenium; E_Re?O = 127 kcal/mole.     

Infrared crystal spectra of C2H4, C2D4, and as-C2H2D2 and the general harmonic force field of ethylene

Carbon-13 frequency shifts for C₂H₄, C₂D₄, and as-C₂H₂D₂ have been measured in isotopic solid solutions in crystalline films at 60 K. All but two of the shifts (for as-C₂H₂D₂) are compatible with recently determined ζ data for C₂H₄, with ¹³C frequency shifts for C₂H₄ and C₂D₄ in the gas phase and with conventional frequency data. Together, these data completely determine with precision all 18 parameters of the GHFF for ethylene, the previous ambiguity in choice between two sets of A_g species force constants being removed. The force field reproduces closely the observed centrifugal distortion constants for C₂H₄, a ζ constant observed for trans-C₂H₂D₂, and the inertia defects for C₂H₄, C₂D₄, and as-C₂H₂D₂. Vibration and rotation constants for all isotopically deuterated ethylenes are calculated.Possible explanations for the two anomalous crystal shifts in as-C₂H₂D₂ involve the effects of the crystal field, and failure of the use of Dennison's rule for making anharmonic corrections to the shifts. The former explanation is preferred as a result of thorough analysis of the anharmonicity constants for as-C₂H₂D₂ determined from many overtone and combination bands in the gas and crystal spectra.     

Comparison of CH4/H2 and C2H6/H2 inductively coupled plasma etching of ZnO

CH₄/H₂-based discharges are attractive for dry etching of single crystal ZnO because of their non-corrosive nature. We show that substitution of C₂H₆ for CH₄ increases the ZnO etch rate by approximately a factor of 2 both with and without any inert gas additive. The C₂H₆/H₂/Ar mixture provides a strong enhancement over pure Ar sputtering, in sharp contrast to the case of CH₄/H₂/Ar. The threshold ion energy for initiating etching is 42.4 eV for C₂H₆/H₂/Ar and 59.8 eV for CH₄/H₂/Ar. The etched surface morphologies were smooth, independent of the chemistry and the Zn/O ratio in the near-surface region was unchanged within experimental error after etching with both chemistries. The plasma etching improved the band-edge photoluminescence intensity and suppressed the deep level emission from the bulk ZnO under our conditions, due possibly to removal of surface contamination layer.     

Theoretical integrated intensities for the 2ν2 and 2ν2-ν2 bands of HCN and DCN

Dipole moment functions, both perpendicular and parallel to the molecular axis, are calculated from the SCF and MRD-CI results of a previous study for the normal ν₂ bending vibrations of HCN and DCN. Vibrationally averaged dipole moments and the infrared transition matrix elements are then obtained from the dipole moment functions and vibrational wave functions. MRD-CI results, with known experimental values in parentheses, for HCN are 〈0|μ|0〉 = ?2.954(?2.985) D, 〈1|μ|1〉 = ?2.915(±2.942) D, 〈0|μ|1〉 = 0.148(0.147) D, 〈0|μ|2〉 = ?0.027 D, 〈1|μ|2〉 = 0.210 D. Calculated absolute intensities at 1 atm and 0°C for the (02⁰0) ← (000), (02⁰0) ← (010), and (02²0) ← (010) bands of HCN are 25 (40 ± 10 as estimated from spectra), 8.5, and 17.0 atm^?1 cm^?2, respectively. Results for DCN are also reported.     

Linewidths of HCl broadened by CO2 and N2 and CO broadened by CO2

High resolution measurement of the linewidths of HCl broadened by CO₂ and N₂ and CO broadened by CO₂ have been performed in both the 1-0 and 2-0 bands of HCl and the 2-0 band of CO. The data were analyzed by the direct and the peak absorption methods. Values of the linewidths obtained by the two methods are in good agreement. For |m| ≤ 3, for the case of HCl + CO₂, the agreement is good for the values obtained in both bands of HCl. However for |m| > 3, the HCl + CO₂ linewidths in the 1-0 band are smaller than the corresponding lines in the 2-0 band by as much as 11% for |m| = 9. Lines (|m| ≤ 3) of the 1-0 and 2-0 bands of HCl broadened by CO₂ were also analyzed in terms of the super-Lorentzian line profile proposed by Varanasi, S. K. Sarangi, and G. D. T. Tejwani (J. Quan. Spectr. Radiative Transfer12, 857 (1972)) and the Lorentzian profile. The results indicate that near the line center (within 3γ), the shape of HCl + CO₂ lines are Lorentzian.     

Interaction of O2, CO2, CO,C2H4 and C2H4O with Ag(110)

The interaction of O₂, CO₂, CO, C₂H₄ AND C₂H₄O with Ag(110) has been studied by low energy electron diffraction (LEED), temperature programmed desorption (TPD) and electron energy loss spectroscopy (EELS). For adsorbed oxygen the EELS and TPD signals are measured as a function of coverage (θ). Up to θ = 0.25 the EELS signal is proportional to coverage; above 0.25 evidence is found for dipole-dipole interaction as the EELS signal is no longer proportional to coverage. The TPD signal is not directly proportional to the oxygen coverage, which is explained by diffusion of part of the adsorbed oxygen into the bulk. Oxygen has been adsorbed both at pressures of less than 10^-4 Pa in an ultrahigh vacuum chamber and at pressures up to 10³ Pa in a preparation chamber. After desorption at 10³ Pa a new type of weakly bound subsurface oxygen is identified, which can be transferred to the surface by heating the crystal to 470 K. CO₂ is not adsorbed as such on clean silver at 300 K. However, it is adsorbed in the form of a carbonate ion if the surface is first exposed to oxygen. If the crystal is heated this complex decomposes into O_ad and CO₂ with an activation energy of 27 kcal/mol(1 kcal = 4.187 kJ). Up to an oxygen coverage of 0.25 one CO₂ molecule is adsorbed per two oxygen atoms on the surface. At higher oxygen coverages the amount of CO₂ adsorbed becomes smaller. CO readily reacts with O_ad at room temperature to form CO₂. This reaction has been used to measure the number of O atoms present on the surface at 300 K relative to the amount of CO₂ that is adsorbed at 300 K by the formation of a carbonate ion. Weakly bound subsurface oxygen does not react with CO at 300 K. Adsorption of C₂H₄O at 110 K is promoted by the presence of atomic oxygen. The activation energy for desorption of C₂H₄O from clean silver is ～ 9 kcal/mol, whereas on the oxygen-precovered surface two states are found with activation energies of 8.5 and 12.5 kcal/mol. The results are discussed in terms of the mechanism of ethylene epoxidation over unpromoted and unmoderated silver.     

EPR study of Ce ions in lutetium silicate scintillators Lu2Si2O7 and Lu2SiO5

Two Ce³⁺-doped scintillator crystals, LSO (Lu₂SiO₅:Ce) and LPS (Lu₂Si₂O₇:Ce), are studied by EPR spectroscopy. The analysis indicates that Ce³⁺ substitutes for Lu³⁺ ion in a C₂-symmetry site for LPS and in two C₁-symmetry sites for LSO, with a preference for the largest one, with 6+1 oxygen neighbors. Angular dependence of the EPR spectrum shows that the electronic ground state of Ce³⁺ is different in these two matrices. It is mainly composed of |M_J|=5/2 state in LPS and |M_J|=3/2 state in LSO. The temperature dependence of the linewidth shows a noticeably long spin lattice relaxation time, especially in LPS, which is the result of a stronger crystal field in LPS than in LSO.