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Lattice dynamical, electronic, and structural properties of complex metals at extreme conditions

极端条件下复杂金属的晶格动力学、电子和结构特性

基本信息

批准号：
EP/E054358/1
负责人：
Ingo Loa
金额：
$ 59.92万
依托单位：
University of Edinburgh
依托单位国家：
英国
项目类别：
Fellowship
财政年份：
2007
资助国家：
英国
起止时间：
2007 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=EP%2FE054358%2F1
关键词：
Lattice dynamical electronic structural properties

项目摘要

I aim to exploit my expertise in optical and x-ray spectroscopy, x-raydiffraction, and first-principles computations to gain fundamental newinsight into the physical properties of complex elemental metals atextreme conditions in pressure and temperature. The research proposed hereconcerns the physics of elemental metals (such as Cs, Rb, Ba, Te) withcomplex crystal structures, where we have witnessed, in recent years, analmost revolutionary change in our understanding of the structural andbonding properties in elemental crystals under pressure. While there hasbeen as series of discoveries of remarkably and unexpectedly complexcrystal structures in elemental solids, very little is known about thephysical properties of these phases.I propose to make detailed studies of the lattice dynamical and electronicproperties of complex phases of elemental metals at extreme conditions inpressure and temperature. The experimental investigations will be based ona combination of spectroscopic techniques / optical Raman spectroscopy,inelastic x-ray scattering spectroscopy, as well as diffuse x-rayscattering analysis /, and will be closely coupled with computationalwork. X-ray diffraction investigations of structural aspects willcomplement the spectroscopic studies where needed. I will investigate thelattice dynamics of the remarkably complex and often incommensuratestructures that have been found in K, Rb, Sr, Ba, Sc, As, Sb, Bi, S, Se,Te and Ga at high pressures. In addition to studies of phonon softeningand other anomalies in their phonon dispersion curves, I will embark on anambitious programme of studies on their electronic properties. I willinvestigate the superconducting gap in superconducting phases to gainunderstanding of the pairing mechanism, and aspire to detect andcharacterise pseudogaps in the electronic excitation spectra. Altogether,this research aims at gaining fundamental new insight in the behaviour andproperties of elemental metals at high pressure and at developing acoherent picture of the mechanisms that lead to the unexpectedly frequentformation of complex crystal structures under pressure.

我的目标是利用我在光学和x射线光谱学，x射线衍射和第一性原理计算方面的专业知识，在极端压力和温度条件下获得复杂元素金属物理性质的基本新见解。这里提出的研究涉及具有复杂晶体结构的元素金属（如Cs， Rb, Ba, Te）的物理学，近年来我们见证了我们对压力下元素晶体结构和键合特性的理解发生了几乎革命性的变化。虽然在单质固体中已经发现了一系列令人惊讶的复杂晶体结构，但人们对这些相的物理性质知之甚少。我建议在极端压力和温度条件下对元素金属复杂相的晶格动力学和电子性质进行详细的研究。实验研究将基于光谱学技术/光学拉曼光谱、非弹性x射线散射光谱以及漫射x射线散射分析的结合，并将与计算工作密切结合。结构方面的x射线衍射研究将在需要时补充光谱研究。我将研究在高压下发现的K， Rb, Sr, Ba, Sc, As, Sb, Bi， S, Se，Te和Ga中非常复杂且经常不相关的结构的晶格动力学。除了研究声子软化和声子色散曲线中的其他异常外，我还将开始一个雄心勃勃的计划，研究它们的电子特性。我将研究超导相中的超导间隙，以获得对配对机制的理解，并渴望在电子激发光谱中检测和表征伪间隙。总的来说，这项研究的目的是获得基本的新见解，在高压下元素金属的行为和性质，并在开发导致压力下意外频繁形成复杂晶体结构的机制的连贯图像。