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arXiv 1805.00580cond-mat.mtrl-sci
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Ca掺杂SrTiO3中反铁畸变相的超快弛豫动力学

Ultrafast relaxation dynamics of the antiferrodistortive phase in Ca doped SrTiO3

M. Porer, M. Fechner, E. Bothschafter, L. Rettig, M. Savoini, V. Esposito, J. Rittmann, M. Kubli, M. J. Neugebauer, E. Abreu, T. Kubacka, T. Huber, G. Lantz, S.… 展开作者

M. Porer, M. Fechner, E. Bothschafter, L. Rettig, M. Savoini, V. Esposito, J. Rittmann, M. Kubli, M. J. Neugebauer, E. Abreu, T. Kubacka, T. Huber, G. Lantz, S. Parchenko, S. Grübel, A. Paarmann, J. Noack, P. Beaud, G. Ingold, U. Aschauer, S. L. Johnson, U. Staub

摘要:

利用时间分辨X射线衍射技术研究了Ca:SrTiO_3晶体中八面体的超快旋转动力学。通过监测直接与Ca:SrTiO 3中软模驱动反铁畸变相的结构序参量相关的超晶格反射的衍射强度,我们观察到氧八面体旋转在0.2 ps时间尺度上的超快弛豫,尽管相应的软模频率发生了很大的变化,但它与初始温度无关。在更慢的皮秒时间尺度上,更小的减少归因于热效应。与时间相关的密度泛函理论计算表明,快速响应可以归因于超快的位移修改的软模电位向正常状态,诱导的空穴中产生的氧2p状态。

英文摘要:

The ultrafast dynamics of the octahedral rotation in Ca:SrTiO3 is studied by time resolved x-ray diffraction after photo excitation over the band gap. By monitoring the diffraction intensity of a superlattice reflection that is directly related to the structural order parameter of the soft-mode driven antiferrodistortive phase in Ca:SrTiO3, we observe a ultrafast relaxation on a 0.2 ps timescale of the rotation of the oxygen octahedron, which is found to be independent of the initial temperaure despite large changes in the corresponding soft-mode frequency. A further, much smaller reduction on a slower picosecond timescale is attributed to thermal effects. Time-dependent density-functional-theory calculations show that the fast response can be ascribed to an ultrafast displacive modification of the soft-mode potential towards the normal state, induced by holes created in the oxygen 2p states.

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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