共查询到19条相似文献,搜索用时 153 毫秒
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测量并研究了不同温度(室温—1573 K)范围内KTN晶体的拉曼光谱及其熔体的高温拉曼光谱,分析了KTN晶体结构随温度变化的规律及其熔体的结构特征.随着温度的升高,KTN晶体的拉曼光谱谱峰都不同程度地向低波数方向移动,同时存在不同程度的展宽,并伴随强度的减弱.观察并解释了温度353 K附近KTN晶体样品的四方—立方转相现象.研究了KTN晶体拉曼光谱中538cm-1,585cm-1,835cm-1和877cm-1谱峰及其
关键词:
高温拉曼光谱
熔体
KTN晶体 相似文献
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研究了BGO晶体在不同温度下(在300—1323 K的温度范围)的拉曼光谱及其熔体的高温拉曼光谱,分析了BGO晶体结构随温度变化的规律及BGO熔体的结构特征.随着温度的升高,BGO晶体的拉曼光谱谱峰都不同程度地向低波数方向移动,也存在不同程度的展宽,同时强度减弱.另外,在BGO熔体中存在[GeO4]和[BiO6]的结构基团;但两种结构之间的联键消失,即在熔体中二者是相互独立的生长基元.
关键词:
高温拉曼光谱
熔体
BGO晶体 相似文献
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采用铜蒸气脉冲激光光源和时间分辨探测技术,测定了CaSiO3晶体及其熔融态的常温及高温拉曼光谱(在298~2000K的温度范围),观察了其在高温下的相转变、升温过程及其熔体的特征光谱变化。通过谱图解析,研究分析了熔体微结构单元硅氧四面体Qn(n为单个硅氧四面体的桥氧数)分布、聚合状况及其与固态晶体的区别 相似文献
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测量了升温条件下(298~1473K)钨铅矿型钨酸铅(PbWO4)晶体及其熔体的拉曼光谱,确定了各振动模的归属,其中波数902.7cm-1的最强拉曼峰为[WO4]四面体的内振动光学模式ν1(Ag),属于对称伸缩振动。同时,随温度上升,谱峰展宽并伴随强度减弱,体系内无序化程度增加。至1398K晶体初步熔化,并且在1473K完全熔融,高温熔体谱中自由[WO4]2-结构单元的内振动模式显现,同时发生了由晶体固定晶胞的S4型对称性向熔体中[WO4]2-结构单元的Td型对称性的结构转化,表明PbWO4的熔体中存在相对孤立的[WO4]2-结构单元。 相似文献
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磷酸钠结构的高温拉曼光谱研究 总被引:2,自引:1,他引:1
用高温拉曼光谱仪测定了固态和熔融态磷酸钠(Na3PO4)晶体的光谱,分析了磷酸钠晶体的结构及其随温度的变化。通过对从常温谱到高温谱的解析,得出主峰波数随温度的变化及主峰半高宽的变化,可以观察到在600 K附近及1773 K有两个相变产生。此外,磷酸钠晶体的相关高温DSC检测分析,也和拉曼谱中发现的两个相变符合。量子化学理论计算同时对该体系的P-O键振动和平均键长进行了模拟,随着键长的增加,对应的振动频率会降低。还确认了磷酸钠Raman光谱中各个峰的归属,938 cm-1波数处的峰属于(PO4)3-中P-O键的对称伸缩振动,是Na3PO4的特征峰,425及580 cm-1处峰属于磷氧四面体的弯曲振动。 相似文献
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根据空间群理论,预测了Sr3TaGa3Si2O14(STGS)单晶的振动模式,并分别计算了非极性和极性振动模式的Raman散射强度。测量了STGS晶体的Raman光谱,并对其振动模式进行了指认。实验结果表明STGS晶体具有6个A1对称类特征振动模式:波数为126cm-1的振动峰可指认为SiO4团簇、Sr原子和TaO6团簇间的相对平动;245cm-1的振动峰是SiO4团簇的扭曲振动和Sr—TaO6—Sr伸缩振动耦合的结果;特征峰557和604cm-1分别来源于O—Ta—O和O—Ga—O的伸缩振动;896cm-1谱带对应着两个SiO4四面体的O—Si—O伸缩振动;991cm-1的谱带对应着两个SiO4四面体的Si—O伸缩振动。实验结果和理论计算结果均确证了STGS晶体的层状结构,其弱的各项异性和压电模量归因于十面体结构单元的微弱形变。 相似文献
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A high-pressure Raman scattering study of wolframite-type Mn(0.97)Fe(0.03)WO(4) is presented up to 10.4?GPa. The phonon wavenumbers vary linearly with pressure. The mode Grüneisen parameters are larger for many bending and lattice modes when compared to the stretching modes due to the larger compressibility of Mn(Fe)O(6) octahedra when compared to WO(6) octahedra. Combining the pressure-dependent Raman data of this work with the temperature-dependent Raman data on this crystal previously reported by us has allowed estimation of the temperature-dependent pure lattice and intrinsic anharmonic contributions to the observed total Raman shifts as a function of temperature. It has been found that the observed unusual hardening of the 884, 698 and 674?cm(-1) stretching modes upon heating from 4 to about 150-200?K followed by the usual softening above 150-200?K is a result of a positive intrinsic anharmonic contribution and a negative pure lattice contribution; i.e.,?up to about 150-200?K the anharmonic contribution surpasses the lattice contribution and the total Raman shift is slightly positive whereas above 150-200?K the lattice contribution becomes dominant and the Raman bands exhibit the usual softening with increasing temperature. 相似文献
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根据空间群理论分析和指认了磷酸二氘钾晶体[K(DxH1-x)2PO4,简称DKDP]的拉曼活性晶格振动模,测量了其室温拉曼光谱。结果表明DKDP晶体的晶格振动谱主要是由D2PO-4阴离子团簇的内振动引起的。与H2PO-4阴离子稀溶液的拉曼谱和NaD2(PO4)2晶体的拉曼谱比较,DKDP晶体中D2PO-4阴离子的四个特征内振动模可被指认为881 cm-1(ν1),357 cm-1(ν2),514/541 cm-1(ν3),965 cm-1(ν4)。 相似文献
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采用固相烧结法制备了六方晶型结构的MgTiO3粉体. 经高温原位X射线衍射分析(293-1473 K)进行了表征与确认,获得了晶胞参数及其随温度的变化,测量了高温原位拉曼光谱(273-1623 K),并运用第一性原理理论计算方法对应核实了拉曼谱峰的归属. 结果表明,随着温度升高,MgTiO3晶面间距和晶格常数增大,从而反映对于拉曼光谱较为敏感的键长和键角的变化;温致拉曼位移可以反映Ti-O,Mg-O等键长以及Ti-O-Ti,Ti-O-Mg与Mg-O-Mg等键角随温度的细微变化,相关关系则独立于温度,有效提升了原位拉曼光谱微探针诊断技术的分析能力;拉曼谱峰随温度升高而展宽,表明原子瞬间运动振幅加剧,弥散性增加,稳定性有所下降,但仍维持六方晶型.
关键词:
3')" href="#">MgTiO3
微结构
拉曼光谱
高温 相似文献
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用热液金刚石压腔装置结合拉曼光谱技术研究了高温高压下方解石的相变过程及拉曼光谱特征。结果表明:常温条件下,体系压力增至1 666和2 127 MPa时,方解石的拉曼特征峰155cm-1消失,1 087cm-1峰分裂为1 083和1 090cm-1两个谱峰、282cm-1峰突然降至231cm-1,证明其转变为方解石-Ⅱ和方解石-Ⅲ。在起始压力为2 761MPa和低于171℃的升温过程中,方解石-Ⅲ的拉曼散射的各个特征振动峰没有变化。当温度达到171℃,方解石晶体完全变成不透明状,其对称伸缩振动峰1 087cm-1、面内弯曲振动峰713cm-1和晶格振动峰155和282cm-1均发生突变,说明方解石-Ⅲ相变生成一种碳酸钙新相。体系降至常温,该新相一直保持稳定不变,表明高温高压下方解石向碳酸钙新相的转变过程是不可逆的。方解石-Ⅲ与碳酸钙新相之间的相变线方程为P(MPa)=9.09.T(℃)+1 880。碳酸钙新相的对称伸缩振动峰(ν1 087)随压力、温度的变化率分别为dν/dP=5.1(cm-1.GPa-1),dν/dT=-0.055 3(cm-1.℃-1)。 相似文献
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Temperature-dependent Raman scattering experiments were performed on Bi(2)WO(6) and Bi(2)W(2)O(9). Significant changes in the phonon properties of Bi(2)WO(6) were observed as the temperature was increased due to decreased distortion from the B2cb structure. It was shown that instability of the 57 cm(-1) mode that behaved as a soft mode under pressure is not responsible for the Pca2(1) to B2cb phase transition taking place in Bi(2)WO(6) at 933 K. This result confirmed that this mode is not related to the [Formula: see text] tilt mode, which disappears upon change in symmetry from Pca2(1) to B2cb. Bi(2)W(2)O(9) does not exhibit any structural phase transition in the 298-800 K range. However, the temperature dependence of Raman bands indicated that the Bi(2)W(2)O(9) structure evolves with decreasing temperature from 800 to 298 K towards a more symmetric structure that was reported above 2.8 GPa at room temperature. This structural change is driven by displacement of the W atoms and is different from that exhibited by Bi(2)WO(6) and other members of the Aurivillius family but similar to that exhibited by WO(3). Our results also show that Bi(2)W(2)O(9) belongs to the small group of compounds that show the presence of low wavenumber modes characterized by unusually small linewidths. 相似文献
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Paraguassu W Maczka M Guerini S Freire PT Mendes Filho J Majchrowski A Swirkowicz M 《J Phys Condens Matter》2011,23(40):405901
RbNd(WO(4))(2) was investigated by high pressure Raman spectroscopy in the 0.1-12.3 GPa pressure interval. The assignment of modes was made based on lattice dynamics calculations and the results of these calculations helped us to also discuss the high pressure behavior of phonon spectra in this material. Our results show that a double oxygen bridge plays a fundamental role in the vibrational properties of this system. A density functional theory (DFT) calculation of hydrostatic pressure effects on RbNd(WO(4))(2) was performed in order to understand the effect of internal bond changes on the vibrational properties of RbNd(WO(4))(2). No pressure induced structural phase transition was observed in the Raman study at room temperature, and the DFT calculation (T = 0 K) is consistent with this result. The anomalous softening of the bridge stretching mode at 770 cm(-1) was attributed to the decrease of W-O1-W bond angle with increasing pressure. 相似文献