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Based on the principle of such a polyhedra-type approach, it has been proposed that elastic properties such as thermal expansion or compressibility of perovskites can be estimated through the analysis of particular Raman modes, even without explicit knowledge of the Grüneisen parameters [43-45]. In the following we will test this model by using our temperature-dependent Raman spectra of DyScO3 and GdScO3. The method described in detail in ref. [43] is based on the following assumptions. (i) Changes in the lattice parameter a induce changes in force constants k and consequently in vibrational frequencies (Grüneisen model) and (ii) polyhedron stretching modes involve mainly one type of force constants and the thermal expansion (or compressibility) of the polyhedron is determined by these microscopic force constants. Based on these assumptions, the approximation of a pseudo-cubic structure and that the force constants obey an empiric law for ionic crystals as described in ref. [46], Loridant et al. [43] have proposed that the thermal expansion of a polyhedron can be described by the following empirical equation: |
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3楼2011-03-25 14:18:55
ll921(金币+40, 翻译EPI+1): 谢谢你 2011-03-25 18:08:44
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基于多面形方法理论，通过详细的Raman模型分析在缺少Grüneisen参数的情况下评价了钙钛矿热胀或收缩的弹性特征。我们使用DyScO3 和GdScO3的依温（与温度有关）Raman 范围对该模型进行了测试。描述在文献[43]中的方法是居于下面的假设：（1）几个参数a的改变导致了力常数k的改变,进而导致振动频率的改变 (Grüneisen model) (ii) 通过三个微观常数测定多面体拉伸模型（该模型包括一种多面体的力常数和热胀（或收缩）类型）。基于这些假设，1个假设的立方体结构和力常数的近似值服从文献[46]中描述的离子晶体的经验定律 Loridant et al. [43] 已经提出多面体的热膨胀能用下面的经验公式描述: |
2楼2011-03-25 14:17:38
