A remarkable match of optical response in the amorphous-crystalline and zinc blende-rock salt phase pairs of GeTe.

IF 2.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER
E A Plekhanov, A L Tchougréeff, A V Kolobov
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引用次数: 0

Abstract

Despite a large amount of theoretical and experimental work performed so far, the search of phase change materials (PCMs) is done with use of numerical modeling. However, it is not fully clear how and why the phase change translates into the optical contrast. In this work, we argue that a key prerequisite for a material to have a pronounced difference in optical properties between crystalline and glassy phases of PCM is the similar contrast between the observed crystalline and (may be experimentally inaccessible) parent crystalline polymorph of the glassy phase. To illustrate this claim, we report a comparison of dynamic dielectric function of zinc-blende (α-ZnS), CsCl, and rock-salt (NaCl) phases of the binaryAIVBVIPCM exemplified by the well known GeTe prototype compound with experimental data and supply a theoretical explanation to the observed behavior based on topological properties of the Fermi surfaces appearing in the protoptypic 'degenerate' crystals with A = B having the same local structure as the parent polymorphs and derived from simple analytical model. By this, we arrive to a qualitative rather than purely numeric guidance for possible search of the novel phase-change materials.

GeTe的无定形晶相和锌混合岩盐相对的光学响应具有显著的匹配性。
尽管迄今为止进行了大量的理论和实验工作,但相变材料(PCM)的研究是使用数值模拟来完成的。然而,目前还不完全清楚相变如何以及为什么会转化为光学对比度。在这项工作中,我们认为材料在PCM的晶体和玻璃相之间具有明显的光学特性差异的关键先决条件是观察到的晶体和玻璃相的母晶多晶之间的相似对比度(可能在实验中无法获得)。为了说明这一说法,我们报告了锌-闪锌矿(a- zns), CsCl,以著名的GeTe原型化合物为例的二元AIVBVI PCM的岩盐(NaCl)相,并结合实验数据,基于与母体多晶具有相同局部结构的a =B原型“简并”晶体中出现的费米表面的拓扑性质,从简单的分析模型中得出了观察到的行为,提供了理论解释。通过这一点,我们得出了一个定性的而不是纯粹的数值指导,为可能的搜索新的相变材料。 。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Physics: Condensed Matter
Journal of Physics: Condensed Matter 物理-物理:凝聚态物理
CiteScore
5.30
自引率
7.40%
发文量
1288
审稿时长
2.1 months
期刊介绍: Journal of Physics: Condensed Matter covers the whole of condensed matter physics including soft condensed matter and nanostructures. Papers may report experimental, theoretical and simulation studies. Note that papers must contain fundamental condensed matter science: papers reporting methods of materials preparation or properties of materials without novel condensed matter content will not be accepted.
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