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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Enhanced Neel temperature in EuSnP under pressure
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Enhanced Neel temperature in EuSnP under pressure

机译：在压力下增强了EUSNP的Neel温度

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摘要

We present the combined results of single crystal X-ray diffraction, physical properties characterization, and theoretical assessment of EuSnP under high pressure. Single crystals of EuSnP prepared using Sn self-flux crystallize in the tetragonal NbCrN-type crystal structure (S.G. P4/nmm) at ambient pressure. Previous studies have shown that for Eu ions, seven unpaired electrons impart a 2+ oxidation state. Assuming the oxidation states of Eu to be +2 and P to be -3, each Sn will donate one electron, with one p valence electron left for forming a weak Sn-Sn bond. According to the high-pressure single crystal X-ray diffraction measurements, no structural phase transition was observed up to approximate to 6.2 GPa. Temperature-dependent resistivity measurements up to 2.15 GPa on single crystals indicate that the phase-transition temperature occurring at the Neel temperature (T-N) is significantly enhanced under high pressure. The robust crystallography and enhanced antiferromagnetic transition temperatures can be rationalized by the electronic structure calculations and chemical bonding analysis. The increasing Eu-P bonding interaction is consistent with the lattice parameter changing and enhanced T-N. Moreover, the molecular orbital diagram shows that the weak Sn-Sn bond can be squeezed under pressure, acting as a compression buffer to stabilize the structure.
机译：我们在高压下呈现单晶X射线衍射，物理性质表征和EUSNP的理论评估的组合结果。在环境压力下在四边形NBCRN型晶体结构中在四边形NBCRN型晶体结构中结晶（S.G4 / NMM），制备的单晶。以前的研究表明，对于欧盟离子，七个未配对的电子赋予2+氧化状态。假设欧盟的氧化状态是+2和p的-3，每个Sn将捐出一个电子，其中一个P值电子留给形成弱的Sn-Sn键。根据高压单晶X射线衍射测量，未观察到近似为6.2GPa的结构相转变。在单晶上的温度依赖性电阻率测量值高达2.15GPa，表明在高压下发生在Neel温度（T-N）时发生的相转变温度显着提高。鲁棒的晶体学和增强的反铁磁转变温度可以通过电子结构计算和化学键合分析来合理化。增加的EU-P键合相互作用与晶格参数变化和增强的T-N一致。此外，分子轨道图表明弱Sn-Sn键可以在压力下挤压，用作压缩缓冲液以稳定结构。

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