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首页> 外文期刊>Physical Review, B. Condensed Matter >High-resolution vibrational spectroscopy of Pb-OH defects in KMgF3 fluoroperovskite single crystals - art. no. 134302
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High-resolution vibrational spectroscopy of Pb-OH defects in KMgF3 fluoroperovskite single crystals - art. no. 134302

机译:KMgF3氟钙钛矿单晶中Pb-OH缺陷的高分辨率振动光谱-艺术。没有。 134302

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摘要

High-resolution (0.04 cm(-1)) Fourier transform infrared spectroscopy in the temperature range 9-300 K is applied to detect and analyze the OH- stretching modes in air grown KMgF3 single crystals, doped with different Pb amounts. in addition to the 3733.7 cm(-1) line attributed to the stretching mode of isolated OH-, two main lines peaking at 3550.9 and 3567.7 cm(-1) are due to the OH- stretching modes perturbed by neighboring Pb defects. Suitable thermal treatments and isotopic substitutions provide models of the complexes in which OH and Pb are embedded. Lead is recognized as favoring the OH- inclusion into the lattice and causing an inhomogeneous broadening of the IR lines related to the stretching modes of OH- interacting with other cation impurities. Anharmonicity effects are monitored by the weak overtones of the OH-related lines and discussed in the framework of the Morse model for the anharmonic oscillator. The anharmonicity and the Morse parameters, which show a very weak temperature dependence in the 9-300 K range, are very close to those displayed by alkali fluorides. The temperature dependence of the line position and linewidth of the narrow (0.4-0.9 cm(-1)) Lorentzian-shaped IR lines and of the related overtones is successfully analyzed by means of the single phonon coupling model. The coupled phonon frequencies, evaluated from the fitting, for the Pb-perturbed OH- stretching modes fall in the frequency range of the highest phonon state density of the host matrix. [References: 52]
机译:高分辨率(0.04 cm(-1))傅里叶变换红外光谱在9-300 K的温度范围内用于检测和分析掺有不同Pb量的空气生长的KMgF3单晶中的OH拉伸模式。除了归因于孤立的OH-的拉伸模式的3733.7 cm(-1)线外,在3550.9和3567.7 cm(-1)处达到峰值的两条主线是由于OH-拉伸模式受到相邻Pb缺陷的干扰。合适的热处理和同位素取代提供了嵌入了OH和Pb的配合物的模型。铅被认为有利于OH-夹杂进入晶格中,并导致与OH-与其他阳离子杂质相互作用的拉伸方式有关的IR线不均匀加宽。通过与OH相关的谱线的弱泛音来监视非谐效应,并在Morse模型的框架中讨论了非谐振荡器。在9-300 K范围内,显示出非常弱的温度依赖性的非谐和摩尔斯参数与碱金属氟化物所显示的非常接近。通过单声子耦合模型成功地分析了窄(0.4-0.9 cm(-1))洛伦兹形IR线和相关泛音的线位置和线宽与温度的相关性。通过拟合评估得到的对Pb扰动的OH拉伸模式的耦合声子频率落在主体矩阵的最高声子态密度的频率范围内。 [参考:52]

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