High-temperature, high-pressure properties of chalcogenides and low-valent transition-metal oxides (A05)

项目A5将使用紧密交织的实验和理论方法研究晶体结构，电子构型和晶格动力学性质之间的关系。两个新的相变材料候选系统（InxSey和GexSi 1-xTe）将在高温和/或高压下进行原位研究，以深入了解微观现象。理论上的键投射力常数方法将作为相变材料藏宝图中的一个新坐标得到进一步发展。调查将扩大到莫特系统（MOTROOY）的研究，它可以被认为是PCM和VCM材料之间的桥梁。

Project A5 will investigate the relationship between crystal structure, electronic configuration and lattice dynamical properties using closely interwoven experimental and theoretical methodologies. Two new candidate systems for phase change materials (InxSey and GexSi1–xTe) will be explored using in situ stud-ies at high temperature and/or high pressure to gain insight into the microscopic phenomena. The theo-retical bond-projected force constants methodology will be further developed as a new coordinate in the phase-change material treasure map. The investigations will be expanded towards the study of a Mott system (VxOy), which can be considered as a bridge between PCM and VCM materials.