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arXiv 0910.3137cond-mat.mtrl-scicond-mat.str-el
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弹性和磁性效应对MnF2红外声子谱的影响

Elastic and magnetic effects on the infrared phonon spectra of MnF2

R. Schleck, Y. Nahas, R. P. S. M. Lobo, J. Varignon, M. B. Lepetit, C. S. Nelson, R. L. Moreira

摘要:

我们测量了MnF_2在4K和室温之间随温度变化的红外反射光谱。我们表明,声子谱在TN经历了强重整化。我们对该化合物进行的从头计算准确地预测了整个反铁磁转变的声子参数变化的幅度和方向,表明它们主要是由磁序引起的。在这种材料中,我们发现介电常数主要来自声子起源。通过X射线衍射以及TN以下的A2u声子软化所看到的晶格参数随温度的大的变化表明,在MnF2中的磁有序诱导的畸变与在TiO 2,FeF2和其他金红石型氟化物中观察到的铁电不稳定性是相容的。这项研究还表明,在顺磁相的低能量Eu模式的异常温度演化,这可以比较的拉曼光谱在许多同构材料中看到的B1g的。这被解释为从金红石到CaCl 2结构的相变的前体,其在ZnF 2中在压力下观察到。

英文摘要:

We measured the temperature dependent infrared reflectivity spectra of MnF2 between 4 K and room temperature. We show that the phonon spectrum undergoes a strong renormalization at TN. The ab-initio calculation we performed on this compound accurately predict the magnitude and the direction of the phonon parameters changes across the antiferromagnetic transition, showing that they are mainly induced by the magnetic order. In this material, we found that the dielectric constant is mostly from phonon origin. The large change in the lattice parameters with temperature seen by X-ray diffraction as well as the A2u phonon softening below TN indicate that magnetic order induced distortions in MnF2 are compatible with the ferroelectric instabilities observed in TiO2, FeF2 and other rutile-type fluorides. This study also shows the anomalous temperature evolution of the lower energy Eu mode in the paramagnetic phase, which can be compared to that of the B1g one seen by Raman spectroscopy in many isostructural materials. This was interpreted as being a precursor of a phase transition from rutile to CaCl2 structure which was observed under pressure in ZnF2.

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