Local structure of the layered oxysulfide Sr2MnO2Cu5.5S4

This is a proposal to probe the local structure in the layered oxysulfide, Sr2MnO2Cu5.5S4 in particular to probe the local Mn environment for possible Mn2+/Mn3+ charge order and to model the variable temperature behaviour of the copper sulfide layers which have Cu+ ions distributed over a range of sites. This compound is being probed as a potential thermoelectric material and a full understanding of the disorder in the sulfide layer and the influence of the structure of the manganese oxide layers on the electronic properties will be key to full understanding of the physical properties.

本研究旨在探究层状硫氧化物Sr₂MnO₂Cu₅.₅S₄的局域结构，具体而言是探究Mn的局域环境以分析其可能存在的Mn²+/Mn³+电荷有序现象，并对铜离子在多个晶位上分布的硫化铜层的变温行为进行建模。该化合物作为潜在热电材料被开展研究，全面理解硫化铜层中的无序结构，以及氧化锰层结构对电子性质的影响，是完全阐明其物理性质的关键所在。