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63,65Cu NMR and EPR Study of Doped Chalcopyrite Cu1-XPdXFeS2 Compounds
Applied Magnetic Resonance ( IF 1 ) Pub Date : 2021-08-17 , DOI: 10.1007/s00723-021-01409-z
Vadim L. Matukhin 1 , Andrey N. Gavrilenko 1 , Ecaterina V. Schmidt 1 , Iliya G. Sevastianov 1 , Stanislav O. Garkavyi 1 , Sergei B. Orlinskii 2 , Jiri Navratil 3 , Pavel Novak 3
Affiliation  

In the present paper, we applied 63,65Cu NMR in a local field and EPR methods to study a series of Cu1-XPdXFeS2 (x = 0–0.02) compounds. These compounds have the structure of widespread chalcopyrite and attract interest due to their thermoelectric properties. To improve its thermoelectric performance, most research efforts have been focused on the optimization of the properties of CuFeS2 by proper doping. A broadening of the resonance lines of 63,65Cu NMR and the change of EPR spectra may be the result of an increase in the number of defects in the crystal lattice of the compound such as antisite and vacancies, leading to a larger spread of EFG on the resonant copper nuclei. The results obtained show that changes in the periodicity of a crystal lead to a change in the environment of atoms and can significantly modify the physical properties of a substance.



中文翻译:

掺杂黄铜矿 Cu1-XPdXFeS2 化合物的 63,65Cu NMR 和 EPR 研究

在本文中,我们在局部场中应用 63,65 Cu NMR 和 EPR 方法来研究一系列 Cu 1-X Pd X FeS 2 ( x  = 0-0.02) 化合物。这些化合物具有广泛分布的黄铜矿结构,并因其热电特性而引起人们的兴趣。为了提高其热电性能,大多数研究工作都集中在通过适当掺杂来优化 CuFeS 2的性能。63,65共振线的加宽Cu NMR 和 EPR 谱的变化可能是由于化合物晶格中的缺陷数量增加,如反位和空位,导致共振铜核上的 EFG 扩散更大。获得的结果表明,晶体周期性的变化会导致原子环境的变化,并且可以显着改变物质的物理性质。

更新日期:2021-08-19
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