Anion Ordering to Induce Polar Metal Coordinations and Single Ion Anisotropies.

固态合成、焊剂中的反应和化学气相传输将产生新材料的纯粉末和单晶。主要化学目标是AE-TM-Ch-O总系统，其中AE = Mg、Ca、Sr、Ba，TM = Ti-Zn，Ch = S、Se、Te。用碱金属取代AE或用选定的4d和5d过渡金属取代TM是本项目的第二个目标。从衍射分析技术，特别是X射线散射，通过晶体结构测定揭示了阳离子的阴离子排序和杂配位;获得的原子间距离提供了阳离子位点局部极性的估计。此外，这些距离构成了晶体场计算的起点。随后，从混配阳离子配位对宏观性质的影响，探讨了热力学，光学，以及热和电子传输的调查。更具体地说，像非线性光学，磁电效应和单离子各向异性的属性是重点。

Solid-state syntheses, reactions in fluxes, and chemical vapor transports will result in pure powders and single crystals of novel materials. The prime chemical aim is the general system AE-TM-Ch-O, with AE = Mg, Ca, Sr, Ba, TM = Ti-Zn, and Ch = S, Se, Te. To replace AE by alkali-metals or TM by selected 4d and 5d transition metals is a second aim in this project.From diffraction analysis techniques, particularly x-ray scattering, anion orderings and heteroleptic coordinations of cations are revealed through crystal structure determinations; the obtained inter-atomic distances offer estimations of local polarities at the cation sites. Further, these distances constitute the starting points for crystal field calculations.Subsequently, effects from heteroleptic cation coordinations on macroscopic properties are probed by thermodynamic, optic, as well as heat- and electron-transport investigations. More specifically, properties like non-linear optics, magnetoelectric effects, and single ion anisotropies are in focus.