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arXiv 1202.0375cond-mat.supr-concond-mat.str-el
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Fe $_{1+y}$ Te $_{1-x}$ Se $_x$中Fe和Se浓度对c轴极化Fe B $_{1g}$声子模的反常依赖性

Anomalous dependence of the c-axis polarized Fe B$_{1g}$ phonon mode with Fe and Se concentrations in Fe$_{1+y}$Te$_{1-x}$Se$_x$

Y. J. Um, A. Subedi, P. Toulemonde, A. Y. Ganin, L. Boeri, M. Rahlenbeck, Y. Liu, C. T. Lin, S. J. E. Carlsson, A. Sulpice, M. J. Rosseinsky, B. Keimer, M. Le Tacon

摘要:

我们报告了一系列Fe $_{1+y}$ Te $_{1-x}$ Se $_{x}$化合物的晶格动力学性质的研究,特别强调了具有B $_{1g}$对称性的Fe的c轴极化振动,这是所有Fe基超导体家族共有的拉曼活性模式。我们已经进行了系统的研究,作为Se $x$和过量的Fe $y$浓度的函数,这种声子模式的温度依赖性。在母体化合物Fe $_{1+y}$ Te中,我们观察到了一个非常规的声子加宽之间的室温和磁有序温度$T_N$。当Te取代Se,长程磁序被超导性取代时,这种情况平稳地向规则的非谐行为发展。无论硒含量,过量的铁示出提供一个额外的阻尼通道的B $_{1g}$声子在低温下。在局域密度近似(LDA)下,采用密度泛函理论(DFT)从头计算方法,在虚晶近似(VCA)下计算了含铁离子的声子频率,包括磁性极化率和非化学计量比。我们得到了一个很好的协议与测量的声子频率在Fe不足的样品,而Fe过量的影响是很差的再现。这可能是由于过量的铁引起的局部磁性和低能量的磁波动,不能准确地处理这些方法。正如最近的中子散射和$μ$ -SR研究所揭示的,这些现象发生在观察到B $_{1g}$声子异常衰变的温度范围内,并表明这种模式与Fe $_{1+y}$ Te $_{1-x}$ Se $_{x}$中的局部磁矩和自旋涨落的特殊耦合。

英文摘要:

We report an investigation of the lattice dynamical properties in a range of Fe$_{1+y}$Te$_{1-x}$Se$_{x}$ compounds, with special emphasis on the c-axis polarized vibration of Fe with B$_{1g}$ symmetry, a Raman active mode common to all families of Fe-based superconductors. We have carried out a systematic study of the temperature dependence of this phonon mode as a function of Se $x$ and excess Fe $y$ concentrations. In parent compound Fe$_{1+y}$Te, we observe an unconventional broadening of the phonon between room temperature and magnetic ordering temperature $T_N$. The situation smoothly evolves towards a regular anharmonic behavior as Te is substituted for Se and long range magnetic order is replaced by superconductivity. Irrespective to Se contents, excess Fe is shown to provide an additional damping channel for the B$_{1g}$ phonon at low temperatures. We performed Density Functional Theory (DFT) ab-initio calculations within the local density approximation (LDA) to calcuate the phonon frequencies including magnetic polarization and Fe non-stoichiometry in the Virtual Crystal Approximation (VCA). We obtained a good agreement with the measured phonon frequencies in the Fe-deficient samples, while the effects of Fe excess are poorly reproduced. This may be due to excess Fe-induced local magnetism and low energy magnetic fluctuations that can not be treated accurately within these approaches. As recently revealed by neutron scattering and $μ$-SR studies, these phenomena occur in the temperature range where anomalous decay of the B$_{1g}$ phonon is observed, and suggests a peculiar coupling of this mode with local moments and spin fluctuations in Fe$_{1+y}$Te$_{1-x}$Se$_{x}$.

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