Chemical bonding in complex metallic alloys

该提案是Paketantrag“复杂金属合金（PPCMA）的物理性质”的一部分。Paketantrag将复杂金属合金（CMA）作为材料科学的一个新领域，其主要目的是确定和理解CMA相的化学键和物理性质之间的关系。Paketantrag在科学上补充了欧洲卓越网络（CMA）及其在欧洲金属合金和化合物发展中心（C-MAC）形式中的延续。该建议侧重于两个方向。对Ir-Ga、Rh-Ga二元体系和Al-Mg-Zn三元体系进行相图研究，目的是寻找具有不同结构无序程度的新CMA。几个CMA相的晶体结构将在允许量子化学计算进一步应用的水平上进行研究。选定的CMA中的化学键将采用电子定位方法进行分析。

This proposal is part of the Paketantrag “Physical Properties of Complex Metallic Alloys (PPCMA)”. The Paketantrag addresses Complex Metallic Alloys (CMAs) as a novel field in materials science with the primary aim to determine and understand the relationship between chemical bonding and physical properties of the CMA phases. The Paketantrag scientifically complements the European Network of Excellence CMA and its continuation in form of the European Centre for Development of Metallic Alloys and Compounds (C-MAC).The proposal is focussed on the two directions. Phase diagram investigations of the binary systems Ir-Ga, Rh-Ga as well as the ternary system Al-Mg-Zn will be performed with the goal to find new CMA with the different level of structural disorder. The crystal structures of several CMA phases will be investigated on the level allowing further application of the quantum chemical calculations. Chemical bonding in selected CMA will be analysed employing the electron localizability approach.