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arXiv 1402.4358cond-mat.supr-concond-mat.mtrl-scicond-mat.str-el
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不同CaFe $_{2}$ As $_{2}$样品的复合物结构

Complex structures of different CaFe$_{2}$As$_{2}$ samples

Bayrammurad Saparov, Claudia Cantoni, Minghu Pan, Thomas C. Hogan, William Ratcliff, Stephen D. Wilson, Katharina Fritsch, Bruce D. Gaulin, Athena S. Sefat

摘要:

研究了三种CaFe $_{2}$ As $_{2}$样品的磁性与晶体结构之间的相互作用。在T $_{S}$ = 95 K和45 K之间,发现了不同晶格参数的不同晶畴,并发现了正交相、四方相和塌缩四方相共存。淬火晶体在350°C下退火导致通过c参数的大(~ 1.3%)膨胀和a参数的小(~ 0.2%)收缩的应变释放,以及在原子水平上的局部~0.2 π位移。该退火过程导致最均匀的晶体,其反铁磁和正交相变发生在T $_{N}$ /T $_{S}$ = 168(1)K。在700° C退火的晶体中,在80至120 K之间发生中间应变区,四方晶和正交晶结构相共存。转变温度的这种强烈变化的起源与结构参数有关。重要的是,随着退火,Fe-As长度的增加导致更多的局部Fe电子和Fe离子上更高的局部磁矩。其他结构参数的协同贡献,包括在Fe-Fe距离的减少,和c-参数的急剧增加,这增强了费米面嵌套在CaFe $_{2}$作为$_{2}$,也进行了讨论。

英文摘要:

The interplay between magnetism and crystal structures in three CaFe$_{2}$As$_{2}$ samples is studied. For the nonmagnetic quenched crystals, different crystalline domains with varying lattice parameters are found, and three phases (orthorhombic, tetragonal, and collapsed tetragonal) coexist between T$_{S}$ = 95 K and 45 K. Annealing of the quenched crystals at 350°C leads to a strain relief through a large (~1.3 %) expansion of the c-parameter and a small (~0.2 %) contraction of the a-parameter, and to local ~0.2 Å displacements at the atomic-level. This annealing procedure results in the most homogeneous crystals for which the antiferromagnetic and orthorhombic phase transitions occur at T$_{N}$/T$_{S}$ = 168(1) K. In the 700°C-annealed crystal, an intermediate strain regime takes place, with tetragonal and orthorhombic structural phases coexisting between 80 to 120 K. The origin of such strong shifts in the transition temperatures are tied to structural parameters. Importantly, with annealing, an increase in the Fe-As length leads to more localized Fe electrons and higher local magnetic moments on Fe ions. Synergistic contribution of other structural parameters, including a decrease in the Fe-Fe distance, and a dramatic increase of the c-parameter, which enhances the Fermi surface nesting in CaFe$_{2}$As$_{2}$, are also discussed.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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