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Sr:BaF2中的F型色心的电子结构及转型及理研究 总被引:1,自引:0,他引:1
本文运用嵌入原子簇的电荷自治离散变分方法(DVM-Xα方法)分别对Sr:BaF2晶体中F,F^+和FA「St^2+」心的能级结构进行了计算,得到了F,F^+和FA「Si^2+」心的光学吸收跃迁模式,其跃迁能量分别是1.91eV,1.89eV,2.13eV。我们认为,经电子辐照后的Sr:BaF2晶体,在光吸收实验中测到的640nm(1.94eV),840nm(2.15eV)两个峰分别是由于电子辐照过 相似文献
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本文运用嵌入原子簇的电荷自洽离散变分方法(DVM-Xα方法)分别对Sr∶BaF2晶体中F,F+和FA[Sr2+]心的能级结构进行了计算,得到了F,F+和FA[Sr2+]心的光学吸收跃迁模式,其跃迁能量分别是1.91eV,1.89eV,2.13eV.我们认为,经电子辐照后的Sr∶BaF2晶体,在光吸收实验中测到的640nm(1.94eV),840nm(2.15eV)两个峰分别是由于电子辐照过程中形成的F和FA[Sr2+]心的吸收峰,在光诱导下并存在着F→FA[Sr2+]心的可逆转换过程.本文的计算结果合理地解释了实验所观测到的现象. 相似文献
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G. V. Berezhkova N. P. Skvortzova T. H. Chormonov 《Crystal Research and Technology》1982,17(12):1549-1555
The effect of high temperature predeformation on deformation characteristics of ductile LiF and brittle BaF2 crystals was investigated. The same predeformation, as has been shown previously, leads to the increasing of the limited plastic deformation of MgO crystals by one order of magnitude. It was found that in both investigated crystals, as in the case of MgO crystals, at the test temperature T2 ≅ 0.1 Tm limited plastic deformation before fracture obviously increases if the specimen was prestrained up to εp ≦ 1% at T1 = 0.5 Tm. This increase is as higher as the plasticity of crystal is lower. In BaF2 crystals it reaches a factor of 20 and more. The effect is connected with the creation of mobile dislocations during the high temperature predeformation and dislocaton sources for subsequent deformation at lower temperatures and with the homogeneity of the process of plastic deformation. These conditions prevent the appearance of dangerous places in which the fracture can begin. 相似文献
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Abstract Single crystal ESR spectra of CuCrS2 and CuCrSe2 have been measured at both X- and Q-band frequencies. Anisotropic signals from the localised Cr3+ d-electrons give zero-field splitting parameters of 0.29cm?1 and 0.31cm?1 for the sulphide and selenide respectively, suggesting a possible orbital interaction between the Cr and Cu ions. The dependence of the ESR parameters on temperature shows the effect of magnetic ordering. 相似文献
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采用电子束蒸发法制备PbI2膜,研究不同工艺参数对制备样品光学性质的影响.结果表明,制备样品属于六方相多晶结构,随衬底温度的升高,样品中的I元素含量降低并趋于理想化学配比.随着衬底温度的升高,PbI2膜的光谱透过性能逐渐改善,吸收边沿低能一侧的拖尾逐步消除,源自样品结晶质量的提高.根据紫外-可见透过谱,计算了不同条件下制备样品的厚度、折射率、吸收系数和光学带隙.结果发现,随衬底温度的升高,制备样品的折射率和光学带隙出现波动变化,但吸收系数单调增大.在相同的衬底温度下,35 cm的源-衬间距下制备的样品具有最大的光吸收系数,归因于该系列样品较高的致密度. 相似文献
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The measurements of colourability and density changes in KCl crystals with different Sr2+ contents point to the presence of two separate doping ranges in which different mechanisms of Sr2+ incorporation are active. Below 350 ppm Sr/KCl substitutional incorporation and above 350 ppm Sr/KCl precipitation of a second phase predominates. The latter process is accompanied by the formation of larger vacancy clusters. Ionic conductivity measurements imply that in the range between 80 and 350 ppm the aggregation of Sr2+ [+] dipols takes place. 相似文献
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Crystallography Reports - The polytypism in layered CdInGaS4 crystals grown by chemical transport reaction has been investigated by previously developed methods of oblique-texture electron... 相似文献
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V. V. Volkov C. Van Heurck J. Van Landuyt S. Amelinckx E. G. Zhukov E. S. Polulyak V. M. Novotortsev 《Crystal Research and Technology》1993,28(8):1051-1061
The growth features of FeCr2S4 spinel single crystals prepared by chemical vapour transport were studied by means of scanning electron microscopy, transmission electron microscopy, high resolution electron microscopy, electron diffraction and X-ray analysis. Our results indicate that the epitaxial growth of the new phases FeCr7S12 and FeCr8S12, both based on the NiAs structure, can essentially inhibit the growth of large FeCr2S4 spinel single crystals in the octahedral habit. The new phases are fully characterised and the effects of defect ordering in these new phases are also reported. 相似文献