低温相H_2S晶体振动光谱计算

本文介绍了计算分子晶体基频振动的力常数模型并应用于Ｈ２Ｓ晶体低温相的拉曼，红外光谱分析。使用１１个可调参数（包括３个分子内部力常数和８个分子间作用力参数）计算得到６９个光学模式的振动频率及其对应的本征矢量。计算结果与实验值相符甚好。对已观测到的谱线作了全面指认。并给出了未观测到谱线的位置。计算表明，晶体中氢键为最重要的分子间相互作用。它使Ｈ２Ｓ分子Ｓ—Ｈ键力在晶体中减弱７％。     

Yb3+掺杂KY(WO4)2激光晶体生长、结构与光谱分析

采用顶部籽晶提拉法(TSSG)生长出Yb:KY(WO₄)₂(Yb:KYW)激光晶体.对预烧后的原料及晶体进行了XRD分析，结果表明，分别在920℃和600℃预烧8h后的熔质和助熔剂基本上形成一相，抑止了实验中的挥发问题；所生长的晶体为β-Yb:KYW，计算其晶格常数为a=1.063nm，b=1.034nm，c=0.755nm，β=130.75°.测得不同厚度样品的吸收光谱，结果表明样品在933nm和981nm有较强的吸收峰，计算出主峰981nm的吸收截面σ关键词： Yb:KYW TSSG法 晶体结构 光谱参数     

硫化锌中Sm3+的发光中心

本工作研究了Sm3+离子在立方和六角两种结构硫化锌中的光谱。实验上,采用不同激发条件下的高分辨光谱、时间分辨光谱和激发光谱,同时配合低温退火处理实验,鉴别出硫化锌中Sm3+具有两种不同的发光中心。采用发光方法,第一次对稀土离子在硫化锌中的C3v对称发光中心进行分析。在中间耦合自由离子能级基础上利用不可约张量方法和Wigner-Eckart定理进行晶体场计算,得到的晶体场参数实验值和点电荷模型计算的晶体场参数值相符合。     

熔盐法生长Nd:KGW多波长激光晶体结构及光谱性能的研究

采用熔盐法,以K2W2O7为助溶剂,优化了晶体生长的工艺参数,生长出了新型稀土激光晶体Nd∶KGW。采用XRD及X射线荧光分析,确认了所得到的晶体为β Nd∶KGW晶体。通过TG DTA分析和测量,得到了其熔点及相变温度分别为1086℃和1021℃。利用红外光谱和Raman光谱确定了其分子基团的振动归属。通过测量其吸收光谱,该晶体在波长为808nm处有强吸收峰,可以与激光二极管有效地耦合。通过计算,获得了其峰值吸收截面积。测试了该晶体的荧光光谱,所得到的晶体发射波长为1.06μm和1.35μm。     

Yb∶NaY(WO4)2激光晶体生长

采用提拉法生长出了四方晶系白钨矿结构的Yb∶NaY(WO4)2(简称Yb:NYW)激光晶体,通过TG DTA分析得到晶体的熔点为1211℃,从XRD分析得到晶胞参数为a=b=0.5212nm,c=1.1268nm,V=0.3062nm3。讨论了Yb∶NYW晶体的生长工艺,给出了晶体生长的最佳工艺参数。测试了晶体的红外光谱和拉曼光谱,对晶体的红外振动模式进行了归属,并分析了晶体的拉曼光谱。     

Er3+/Yb3+共掺LiNbO3晶体中Er3+的光谱特性分析

在室温下,测量了采用Czochralski方法生长的as-grown和经退火处理的Z切Er^3＋／Yb^3＋共掺同成分LiNbO3晶体的α偏振吸收光谱（300-1650nm）。运用Judd—Ofelt理论对该晶体中Er^3＋的光谱特性进行了分析。由所测得的吸收系数的积分计算得到了从基态到激发态的若干个主要的电子跃迁强度实验值。利用最小二乘法确定出Er^3＋／Yb^3＋共掺LiNbO3晶体中Er^3＋的Judd-Ofelt参数。进而确定了自发辐射概率,从激发态能级到其各个下能级的荧光分支比以及能级辐射寿命。此外,还讨论了Yb^3＋的共掺和退火处理对LiNbO3晶体中Er^3＋光谱特性的影响。     

闪烁晶体光谱特性多参数综合测试技术研究

针对山西长城微光器材股份有限公司新型闪烁晶体材料的研制需求,研究了一种针对某闪烁晶体受X射线激发后光谱响应的多参数综合光电检测系统。通过系统的光谱输出接口直接测试闪烁晶体的射线转换光谱,通过电压输出接口测试PIN光敏二极管输出的光伏电压,进而采用等效电路法计算闪烁晶体的荧光逸出功率。测试结果表明,荧光逸出效率随X射线管电流的增大而减小。本研究对其他闪烁晶体光谱特性的测试具有借鉴价值。     

Ho:YVO_4晶体中Ho~(3+)光谱参数的计算

根据Ho3+在Ho :YVO4 晶体的吸收谱和 0 6～ 2 1μm波段的荧光谱 ,用J O理论计算了Ho3+的强度参数Ωλ ,并由此计算了激发能级的振子强度、自发辐射跃迁几率、荧光分支比和积分发射截面等光谱参数 ,讨论了Ho :YVO4 晶体作为红外激光材料的可能性。     

Yb∶FAP晶体的光谱特性

研究了Yb∶FAP晶体的光谱特性.用980nm的InGaAs激光二极管激发测量了Yb∶FAP晶体的偏振发射光谱和荧光寿命,结合晶体的偏振吸收光谱,采用对易法计算了晶体的吸收截面和发射截面.讨论了Yb3+掺杂浓度对Yb∶FAP的光谱参数的影响.在较低掺杂浓度下,Yb∶FAP晶体π偏振方向在903nm处的吸收截面为10×10-20cm2,在1.043μm处的发射截面为5.8×10-20cm2,激光上能级的荧光寿命为1.1ms.比较了Yb∶FAP晶体和Yb∶YAG晶体的光谱性能参数.     

Ho3+和Er3+在YLiF4晶体中的光谱强度和Ωλ参数

YLiF4晶体作为一种激光基质材料,早已为人们所熟知.早在六十年代末,七十年代初,就有人对掺Ho3+和Er3+的YLiF4晶体的光谱性质和激光行为进行了研究[1].为了深入的研究这种材料的光谱性质,我们计算了YLiF4:Ho3+和YLiF4:Er3+晶体的实验和理论振子强度、振子强度参数Ωλ(λ=2,4,6)、辐射跃迁几率和辐射寿命等参数.     

低温相HI分子晶体振动光谱计算

低温相ＨＩ分子晶体振动光谱计算毛延哲曾维扬（兰州大学物理系兰州７３００００）ＣａｌｃｕｌａｔｉｏｎｏｆｔｈｅＶｉｂｒａｔｉｏｎａｌＳｐｅｃｔｒｏｓｃｏｐｙｏｆＣｒｙｓｔａｌｉｎｅＨｙｄｒｏｇｅｎＩｏｄｉｄｅＭａｏＹａｎｚｈｅ（Ｄｅｐｔ．ｏｆｆｕｎｄ...     

H_2S晶体振动光谱计算

Ｈ２Ｓ晶体振动光谱计算曾维扬毛延哲（兰州大学物理系兰州７３００００）高祥萍（上海电缆研究所上海２０００９３）ＬａｔｉｃｅＤｙｎａｍｉｃｓｏｆｓｏｌｉｄＨ２ＳＺｅｎｇＷｅｉｙａｎｇ，ＭａｏＹａｎｚｈｅ（ＬａｎｚｈｏｕＵｎｉｖｅｒｓｉｔｙＬａｎｚｈｏｕ７...     

The vibrational modes around the soliton lattice with next neighbor hopping interactions in highly doped trans-(CH) x

Starting from the extended SSH model that includes an external Coulomb potential arising from interchain charged solitons and counterions, the intrachain e-e interaction and the next neighbor hopping interactions, eight localized vibrational modes around the soliton lattice have been found for the doping levels from 3.33 at.% to 13.33 at.%. Among them three are infrared active and they can be used to interpret the three observed infrared absorption lines at 487, 1284 and 1362 cm^–1. Furthermore, the frequencies of localized modes are decreased and their localizations are weakened when the dopant concentrations increase.     

The superconducting and the electrical properties of single crystals Bi2Sr2CuCa2oXat high pressure

Abstract

We have investigated the effect of pressure on lattice parameters and Raman-active phonons of the molecular crystal xenon difluride by powder x-ray diffraction and first-order Raman scattering, respectively. The ambient pressure tetragonal crystal structure remains stable up to the maximum pressure of 50 GPa. The compressibility is found to be strongly anisotropic. The frequencies of the intramolecular A1_g stretching mode and the E_g libration increase sublinearly under pressure. ding the a-and c-axis compression data, we have determined the dependence of phonon frequencies on lattice parameters. The high-frequency A1_g mode shows a pronounced nonlinear scaling with c-axis lattice parameter, with particularly small changes during initial compression. This effect is attributed to the interplay between intra-and intermolecular interactions during compression     

Dynamique de reseau et frequences des modes de vibration pour des impuretes substitutionnelles dans InP,GaP et ZnS

The model used is a rigid-ion model with an effective ionic charge including general interactions for nearest and next nearest neighbours and long range Coulomb interactions. It provides a good fit with available neutron data and with IR absorption results for InP. In this model, no hypothesis is made apriori on the interatomic forces and the eleven parameters given by the model are used. A mathematical model which employs a Green's function technique in the mass defect and the nearest neighbour force constant defect approximation is used to calculate the lattice dynamics of the imperfect crystal. The frequencies of the local modes, the gap modes and the band modes, are given for isolated substitutional impurities. The same calculation is achieved for GaP and ZnS and the results are compared with IR data.     

Lattice dynamics and Raman scattering spectrum of elpasolite Rb<Subscript>2</Subscript>KScF<Subscript>6</Subscript>: Comparative analysis

Raman scattering spectra of elpasolite Rb₂KScF₆ are studied in a wide temperature range including two phase transitions: from the cubic to the tetragonal phase and then to the monoclinic phase. The experimental Raman scattering spectrum is compared with the lattice vibration spectra of these phases calculated using an ab initio approach. A number of anomalies (caused by structural rearrangement during the phase transitions) are revealed and quantitatively analyzed in the ranges of both the intramolecular vibrations of the octahedron molecular ScF₆ ions and low-frequency intermolecular lattice vibrations. The interaction between low-frequency intramolecular vibrations and the intermolecular modes is found to be significant, and strong resonance interaction of the rotational soft modes (which are recovered below the phase transition points) with hard low-frequency vibrations of the rubidium ion sublattice is detected. These interactions are shown to substantially complicate the spectra.     

Study of the phase transitions in ammonium bromide by Raman spectroscopy

A complete Raman scattering study of an oriented NH₄Br single crystal has been carried out and new results are reported for temperature between 45 to 410°K. The study includes measurements and interpretations of the Raman spectral bandwidths, intensities and frequencies of the lattice and internal modes as a function of temperature. Because of the ability of generating a single domain crystal, unambiguous assignments of the Raman active modes are made. From the present data together with those presented previously significant information on the behavior of the ordering and crystal structure associated with the phase transitions in NH₄Br is obtained.     

Temperature and pressure dependence of Raman active lattice mode frequencies of cubic C8H6(Br)2, evidence of a phase transition

The temperature dependence of the Raman active frequencies of the lattice modes of dibromocubane is measured below room temperature. The frequencies are linearly dependent on the temperature decreasing with increased temperature with a marked change in slope occurring at 200?K indicative of a structural phase transition. The pressure dependence of the frequencies measured at room temperature up to 24?KBar shows no evidence of a phase change. Density functional calculations of the structure and Raman frequencies of the internal modes of an isolated molecule of C₈H₆(Br)₂ indicate the molecule is slightly distorted from a cubic carbon structure.     

Pressure and temperature dependences of the dielectric constant,Raman spectra and lattice constant of SnI42

The pressure and temperature dependences of the Raman frequencies, static dielectric constant and lattice constant of the molecular crystal SnI₄, were investigated. These results are combined to evaluate the pure volume and pure temperature (i.e. volume-independent) dependences of the molecular polarizability and of the Raman-active phonon self-energies. The pressure results also allow the separation of the Raman modes into external and internal modes of the crystal; the external modes exhibit a much stronger pressure dependence, and thereby larger Grüneisen parameters, than do the internal modes. The Raman frequencies increase (decrease) with increasing pressure (temperature) whereas the dielectric constant increases with both increasing pressure and temperature, emphasizing the importance of non-volume effects. In fact, it is found that the isobaric temperature dependence of the dielectric constant is dominated by the pure temperature dependence of the molecular polarizability. The pure volume dependence of the polarizability, on the other hand, is relatively small as is perhaps typical of most molecular crystals.