Undoped as well as K-doped (40%), Y-doped (40%), Zr-doped (10%), and Mo-doped (12.5%) strontium barium niobate Sr_0.5Ba_0.5Nb₂O₆ (SBN50) materials have been investigated to explore the effect of heavy doping on the structural and functional properties (thermo-power, thermal and electrical conductivities) both in the as prepared (oxidized) and reduced states.

For all materials, the EXAFS spectra at the Nb – K edge can be consistently analyzed with the same model of six shells around the Nb sites. Doping mostly gives a simple size effect on the structural parameters, but doping on the Nb sites weakens the Nb–O bond regardless of dopant size and charge. Shell sizes and Debye–Waller factors are almost unaffected by temperature and oxidation state, and the disorder is of static nature.

The functional effects of heavy doping do not agree with a simple model of hole or electron injection by aliovalent substitutions on a large band gap semiconductor.

With respect to the undoped samples, doping with Mo depresses the thermal conductivity by ~ 30%, Y doping enhances the electrical conductivity by an order of magnitude, while Zr doping increases the Seebeck coefficient by a factor of 2–3. Globally, the ZT efficiency factor of the K-, Y-, and Zr-doped samples is enhanced at least by one order of magnitude with respect to the undoped or Mo-doped materials.

未掺杂以及K掺杂（40％），Y掺杂（40％），Zr掺杂（10％）和Mo掺杂（12.5％）铌酸锶钡Sr _0.5 Ba _0.5 Nb ₂ O ₆（SBN50）已经对材料进行了研究，以探讨重掺杂对制备和氧化态的结构和功能特性（热功率，导热性和导电性）的影响。

对于所有材料，Nb-K边缘的EXAFS光谱都可以使用Nb站点周围的六层壳的相同模型进行一致分析。掺杂大多对结构参数产生简单的尺寸影响，但是在Nb位置掺杂会削弱Nb-O键，而与掺杂剂的大小和电荷无关。壳的大小和德拜-沃勒因子几乎不受温度和氧化态的影响，并且这种紊乱是静态的。

重掺杂的功能效应与通过大带隙半导体上的异价取代进行的空穴或电子注入的简单模型不一致。

对于未掺杂的样品，掺Mo会使导热率降低约30％，Y掺杂将电导率提高一个数量级，而Zr掺杂则将塞贝克系数提高2-3倍。总的来说，相对于未掺杂或钼掺杂的材料，K，Y和Zr掺杂的样品的ZT效率因子至少提高了一个数量级。