Study on the relationships between Raman shifts and temperature range for α-plane GaN using temperature-dependent Raman scattering

In this paper,Raman shifts of a-plane GaN layers grown on r-plane sapphire substrates by low-pressure metal-organic chemical vapor deposition（LPMOCVD） are investigated.We compare the crystal qualities and study the relationships between Raman shift and temperature for conventional a-plane GaN epilayer and insertion AlN/AlGaN superlattice layers for a-plane GaN epilayer using temperature-dependent Raman scattering in a temperature range from 83 K to 503 K.The temperature-dependences of GaN phonon modes（A1（TO）,E2（high）,and E1（TO）） and the linewidths of E2（high） phonon peak are studied.The results indicate that there exist two mechanisms between phonon peaks in the whole temperature range,and the relationship can be fitted to the pseudo-Voigt function.From analytic results we find a critical temperature existing in the relationship,which can characterize the anharmonic effects of a-plane GaN in different temperature ranges.In the range of higher temperature,the relationship exhibits an approximately linear behavior,which is consistent with the analyzed results theoretically.

Quantification of radiation damage in natural and synthetic zircon by Raman spectroscopy:application to low-temperature thermochronology

Due to its ubiquitous occurrence in igneous,metamorphic,and sedimentary rocks and its wide application in geochronology and geochemistry,zircon has become the most widely used accessory mineral in the geological community.Nevertheless,the decay of U and Th causes radiation damage to the zircon structure,resulting in various degrees of metamictization,which can affect the accuracy of U–Pb dates and Hf and O isotope results.If the degree of zircon radiation damage can be quantified,the influence on geochemical analyses can be evaluated,and the results can be corrected more precisely.In this paper,synthetic and natural zircon crystals with different crystallization ages were selected for Raman spectroscopy analysis,cathodoluminescence imaging,and determination of the U and Th concentrations.The results show that Raman FWHM(full width at half bandmaximum)and Raman shift correlate with alpha dose(Da)ofzirconsfollowingtheseequations,FWHM=44.36(±2.32)×[1-exp(-2.74×Da)]-+1.7(±0.19),Raman Shift=-6.53×Da+1007.69.Analysis of synthetic zircon crystals shows that doped REEs(rare earth elements and P)can also lead to an increase in the FWHM.However,this effect can be ignored for natural zircon samples with REE contents at a normal level of hundreds to a few thousand ppm.The FWHM and Raman shift can be used as proxies to measure the degree of zircon radiation damage.Using the updated equations to calculate the latest age when zircon began to accumulate radiation damage,a more accurate and more meaningful“radiation damage age”can be obtained.

Broadband tunable Raman soliton self-frequency shift to mid-infrared band in a highly birefringent microstructure fiber

Raman soliton self-frequency shifted to mid-infrared band（λ 〉 2 μm） has been achieved in an air-silica microstructure fiber（MF）. The MF used in our experiment has an elliptical core with diameters of 1.08 and 2.48 μm for fast and slow axis. Numerical simulation shows that each fundamental orthogonal polarization mode has two wide-spaced λZDW and theλZDW pairs located at 701/2110 nm and 755/2498 nm along the fast and slow axis, respectively. Using 810-nm Ti：sapphire femtosecond laser as pump, when the output power varies from 0.3 to 0.5 W, the furthest red-shift Raman solitons in both fast and slow axis shift from near-infrared band to mid-infrared band, reaching as far as 2030 and 2261 nm. Also, midinfrared Raman solitons can always be generated for pump wavelength longer than 790 nm if output pump power reaches0.5 W. Specifically, with pump power at 0.5 W, the mid-infrared soliton in slow axis shifts from 2001 to 2261 nm when the pump changes from 790 nm to 810 nm. This means only a 20 nm change of pump results in 260 nm tunability of a mid-infrared soliton.

激光加热效应在硅显微Raman光谱测量中的影响

本文从理论和实验两方面研究了显微Raman光谱测量中,激光功率对单晶硅样品测量的影响。由于显微Raman光谱仪对激光的聚焦作用,使得激光对不同厚度的样品具有微区加热作用,被测样品产生不同程度的温升,从而对显微Raman光谱仪在硅材料应力和温度的测量中产生影响。实验结果证明,对无限厚硅样品,20mW的激光使Raman频移达到0.15cm-1;而对2μm厚的热薄硅样品,26mW的激光使Raman频移达到4.47cm-1。

色散管理孤子中 Raman效应引起的时移及定时抖动(英文)

给出了色散管理孤子中 Raman效应所引起的脉冲中心位置时移的解析表达式并讨论了孤子脉宽的波动所引起的 Raman定时抖动 .结果表明 :时移的演化和不同的色散配置有关 ,并且色散管理孤子 Raman时移和常规孤子一样与传输距离及平均色散的平方成正比 。

多孔硅薄膜纵向分辨Raman谱研究

采用高灵敏度的micro Raman系统研究了多孔硅(PS)在纵向的Raman效应,并研究了多孔硅尺寸对Raman谱的影响.实验中采用脉冲电化学腐蚀和直流电化学腐蚀两种方法制备PS样品,纵向Raman光谱的结果表明,在纵向不同深度,用脉冲电化学腐蚀方法制备的PS,Raman光谱不存在频移,而用直流电化学腐蚀方法制备的PS在多孔层深度为70～90μm处的Raman光谱有向低波数方向约40cm-1的移动,它是由于常规电化学腐蚀方法制备的PS不同深度的尺寸分布对量子效率的影响引起的.

Raman Spectroscopy of Garnet-group Minerals

The Raman spectra of the natural end members of the garnet-group minerals, which include pyrope, almandine and spessarite of Fe-Al garnet series and grossularite, andradite and uvarovite of Ca-Fe garnet series, have been studied. Measured Raman spectra of these minerals are reasonably and qualitatively assigned to the intemal modes, translational and rotatory modes of SiO4 tetrahedra,as well as the translational motion of bivalent cations in the X site. The stretch and rotatory Alg modes for the Fe-Al garnet series show obvious Raman shifts as compared with those for the Ca-Fe garnet series, owing to the cations residing in the X site connected with SiO4 tetrahedra by sharing the two edges. The Raman shifts of all members within either of the series are attributed mainly to the properties of cations in the X site for the Fe-Al garnet series and in the Y site for the Ca-Fe gamet series.

Bismuth-content-dependent polarized Raman spectrum of InPBi alloy

We systematically investigate the optical properties of the InP1-xBix ternary alloys with 0≤x≤2.46%,by using high resolution polarized Raman scattering measurement.Both InP-like and InBi-like optical vibration modes（LO） are identified in all the samples,suggesting that most of the Bi-atoms are incorporated into the lattice sites to substitute Patoms.And the intensity of the InBi-like Raman mode is positively proportional to the Bi-content.Linear red-shift of the InP-like longitudinal optical vibration mode is observed to be 1.1 cm-1/Bi%,while that of the InP-like optical vibration overtone（2LO） is nearly doubled.In addition,through comparing the（XX） and Z（XY） Raman spectra,longitudinaloptical-plasmon-coupled（LOPC） modes are identified in all the samples,and their intensities are found to be proportional to the electron concentrations.

Magnetic field measurement based on a stimulated two-photon Raman transition

The magnetic field in the microwave interaction zone of the fountain atomic clock was measured by stimulated Raman transitions. By measuring the two-photon transition frequency between the Zeeman levels of the two ground states, we achieved a magnetic field measurement accuracy of the order of 0.28 nT, This method is immune to the Doppler shift and the AC Stark shift. The second order Zeeman shift of the fountain clock is 170.7 × 10^-15, with the uncertainty of 7,2 × 10^-16.

Fluctuations of optical phase of diffracted light for Raman–Nath diffraction in acousto–optic effect

The Raman–Nath diffraction in acousto–optic effect was studied theoretically and experimentally in the paper. Up to now, each order of diffracted light in Raman–Nath diffraction was still considered simply to be just frequency-shifted and to be a plane wave. However, we find that the phase and frequency shifts occur simultaneously and individually in Raman–Nath diffraction. The findings demonstrate that, in addition to the frequency shift, the optical phase of each order of diffracted light is also shifted by the sound wave and fluctuates with the sound wave and is related to the location in the acoustic field from which the diffracted light originates. As a result, the wavefront of each order of diffracted light is modulated to fluctuate spatially and temporally with the sound wave. Obviously, these findings are significant for applications of Raman–Nath diffraction in acousto–optic effect because the optical phase plays an important role in optical coherence technology.

FT-IR, Raman and NMR Spectra, Molecular Geometry, Vibrational Assignments, ab initio and Density Functional Theory Calculations for Diethyl Phthalate

Phthalate acid esters （PAEs） possess endocrine disruptive effects and can produce reproductive and developmental toxicities. In this paper, both experimental and theoretical studies on FT-IR, Raman and 1H NMR spectra of diethyl phthalate （DEP） have been carried out. The geometrical structure of DEP was optimized at the HF/6-31G＊, HF/6-311G＊＊, B3LYP/6-31G＊, and B3LYP/6-31 IG＊＊ levels, respectively. The harmonic vibrational frequencies, IR intensity, Raman activity and 1H NMR chemical shifts have been computed at the B3LYP/6-31G＊ and B3LYP/6-311G＊＊ levels. Anharmonic corrections to frequencies were obtained by means of second-order perturbation theory （PT2） at the B3LYP/6-31G＊ level. Based on potential energy distribution （PED）, the vibrational assignments have also been performed. The theoretical calculation values were compared with the experimental observations and the results indicate they are in excellent agreement.

色散缓变光纤中Raman孤子自频移效应的研究

利用绝热扰动法研究了色散缓变光纤中Ｒａｍａｎ孤子自频移效应，得到了色散缓变光纤中Ｒａｍａｎ孤子自频移的表达式。结果表明：光纤色散变化率存在一个可以有效抑制孤子自频移的阈值，当光纤色散变化率大于这个阈值时，色散缓变光纤可以抑制孤子自频移，而当光纤色散变化率小于这个阈值时，色散缓变光纤不仅不能抑制孤子自频移，反而加剧孤子自频移。

色散缓变光纤能有效抑制超短光脉冲的Raman孤子自频移吗?(英文)

研究了色散缓变光纤中超短光脉冲的Raman孤子自频移现象。利用绝热扰动方法得到了一个关于Raman孤子自频移的普遍表达式。结果表明：光纤色散缓变率存在一个能抑制超短光脉冲的Raman孤子自频移的阈值，只有当色散缓变率小于这个阈值时，色散缓变光纤才能有效抑制超短光脉冲的Raman孤子自频移。

拉曼光谱在精细农业土壤成分快速检测中的研究进展

拉曼光谱分析技术利用分子运动对入射光产生非弹性散射的原理对分子成分进行检测,具有受水分干扰小、样本预处理小、与红外光谱信息互补等特点,在土壤成分快速分析方面展现了很大的优势。但是拉曼光谱信号弱,受荧光干扰强,为土壤拉曼信号的有效获取带来困难。为了分析拉曼光谱在土壤成分检测中的应用潜力,该研究综述了移频激发差分拉曼光谱技术、共焦显微拉曼技术以及表面增强技术等基于拉曼光谱的土壤成分检测技术,分析了土壤成分拉曼光谱检测的研究进展,并提出进一步研究建议。结果表明:1)脂肪族化合物以及芳香族化合物都具有拉曼活性,为基于拉曼光谱的土壤有机质含量的定性、定量分析提供了理论依据。为了弥补拉曼光谱对有机质整体定量预测精度的不足,采用红外-拉曼光谱融合方式补偿单独拉曼光谱数据中缺失的土壤有机质信息,可显著改善预测精度。2)利用表面增强技术可以增强土壤溶液中可溶性氮与土壤有效氮拉曼特征波峰的强度,获得了良好的定量预测效果,回归模型决定系数R^(2)达到0.91~0.99。3)土壤中很多含磷的化合物都具有拉曼活性,拉曼光谱是识别土壤中不同磷酸盐形态的极其有效的工具,在土壤磷素含量的分析中,应用小波包分解的拉曼光谱对滤除有机质的磷酸盐参杂土壤中磷素浓度进行预测,回归模型精度R^(2)达到0.94。拉曼光谱检测的样本范围取决于激发光照射在样本上的光点尺寸,而土壤样本的空间变异性为聚焦目标物质带来困难。因此,实现现场高分辨率检测的关键是获取有效拉曼信号、同时降低背景信号的干扰。移频激发技术与显微拉曼技术为农田土壤养分的原位测量提供了技术保障。建议:1)采用光谱融合方法提升回归模型的预测精度。2)降低冗余变量,提升模型的可解读性与重现性。3)充分考虑土壤对拉曼光谱的影响,为开发农田现场土壤成分快速检测技术提供参考。

基于消荧光差分拉曼光谱技术预测食用油复热时长

为实现食用油复热时长的快速测量,选取4种常用的植物油(大豆油、花生油、玉米油、葵花籽油)进行不同时长的加热,基于自主研制的消荧光差分拉曼光谱仪完成样品的原始拉曼光谱及差分拉曼光谱测试。首先,分析植物油的拉曼光谱特征峰归属及复热时长对拉曼光谱的影响,并对原始拉曼光谱及差分拉曼光谱进行主成分对比分析。其次,基于差分拉曼光谱及经小波变换去除荧光干扰的原始拉曼光谱,分别建立食用油复热时长定量模型,并对比分析试验结果。结果表明,与经小波变换去除荧光干扰的原始拉曼光谱相比,基于差分拉曼光谱的食用油复热时长定量模型,玉米油、花生油、葵花籽油、大豆油的验证集R^(2)分别从0.976 9、0.973 1、0.980 9、0.984 2升至0.996 4、0.996 4、0.994 6、0.991 2;验证集均方根误差从1.248 9、1.348 0、1.134 0、1.031 1降至0.494 6、0.491 0、0.606 1、0.768 5。由此表明,利用差分拉曼光谱技术提高了食用油复热时长定量模型的稳定性和精确度。本研究结果为植物油复热时长定量快速检测提供了一种可行的方法。

石英包体拉曼偏移压力计——一种变质压力计算方法

矿物或流体包体可以有效保存寄主矿物生长过程中的化学环境、温度、压力等信息。在高压变质过程中,石榴子石中石英包体的分子振动与环境压力之间具有良好的相关性。根据这一特性,前人提出了石英包体拉曼偏移压力计,其原理是利用显微激光拉曼光谱仪分析石英包体在室温常压下保留的残余压力,再结合石英与寄主矿物的弹性物理特性,恢复石英包体被捕获时的压力,属于矿物物理光谱学压力计,本文介绍了利用石英包体的拉曼位移计算变质压力的基本原理和方法,并对不同方法的适用条件和使用局限做了简要分析。石英包体拉曼偏移压力计是恢复变质岩石形成温度和压力条件的有效方法,具有广泛的应用前景。

铁含量对白云石拉曼光谱特征的影响

白云石中Fe含量分析是研究白云石(岩)成因的重要手段,研究白云石中Fe含量与拉曼光谱之间的关系能够提供一种利用拉曼光谱原位测定白云石中Fe含量的潜在方法。本次研究应用显微共聚焦激光拉曼光谱仪对不同Fe含量的白云石进行了拉曼光谱分析,并对其拉曼光谱变化特征进行了研究。研究结果表明,相较于白云石,铁白云石各个拉曼特征峰均向低频方向偏移。白云石的拉曼特征峰位移与Fe含量呈明显的线性关系,随着Fe含量增加,白云石的各个拉曼特征峰位移均减小。相较于[CO3]^(2−)基团内部振动特征峰(v_(1)、v_(3)和v_(4)峰),两个晶格振动特征峰(T峰和L峰)随Fe含量变化的偏移更为明显。研究认为,由于Fe^(2+)的离子半径大于Mg^(2+),当Fe^(2+)替代白云石晶格中的Mg^(2+)后,晶格中金属-氧键平均键长变长、平均键能变弱,从而改变了金属-氧键和C-O键拉曼活性振动,致使拉曼特征峰向低频方向偏移。本次研究初步建立了基于拉曼光谱中L峰和v1峰的峰间距测定白云石中Fe含量的方法,与传统方法相比,该方法对样品要求较低,能够进行非破坏性测试。

沉积岩中残留有机质的拉曼光谱特征

对沉积岩中残留的无烟煤、固体沥青和石墨3种有机质的拉曼光谱进行了测定,结果表明三者的拉曼光谱均具有明显的特征,石墨的拉曼光谱峰强而锋利,其2个一级峰之间的距离最小且变化不大,说明其演化程度比较高,有的甚至达到了结晶石墨的程度;无烟煤的拉曼光谱一级峰的强度比较弱,半高宽值也比较大,二级峰不明显;固体沥青的拉曼光谱峰形与无烟煤相似,不过其峰的半高宽比较窄,二级峰也比无烟煤要明显得多。另外,除了变质程度比较高的石墨外,其他2种有机质2个一级峰之间的距离均随着样品深度的增大而变小。

显微激光拉曼光谱仪的地质应用

显微激光拉曼光谱仪作为一种新型的微区分析仪器,其高精度、方便、快捷、无损的特点,为地学研究中新技术、新方法的应用提供了最先进的手段。通过研究不同物质拉曼光谱的变化特征,可以帮助确定流体包裹体中流体的成分和盐度,同时利用激光诱导荧光还可以获得显微组分的荧光变化特性。因此,激光拉曼光谱分析可以为流体性质、沉积环境及成藏期次研究提供重要依据。

拉曼光谱方法测量流体包裹体的内压及其应用

通过金刚石压腔和显微激光拉曼光谱方法,获得了流体包裹体中H2O-NaCl体系的O—H、碳酸根的C—O、硫酸根的S—O和正庚烷-环己烷的C—H振动拉曼位移与温度和压力关系的表达式。该研究结果可以用于实测流体包裹体在不同温度下的内压,并可由此获得流体包裹体的p-t线或等容线。这不仅有助于精确获得流体包裹体的形成温度和形成压力,也可为研究和确定流体包裹体中流体的组成和性质提供依据。