English

Ultrafast relaxation dynamics of the antiferrodistortive phase in Ca doped SrTiO3

Materials Science 2018-08-08 v1

Abstract

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.

Keywords

Cite

@article{arxiv.1805.00580,
  title  = {Ultrafast relaxation dynamics of the antiferrodistortive phase in Ca doped SrTiO3},
  author = {M. Porer and M. Fechner and E. Bothschafter and L. Rettig and M. Savoini and V. Esposito and J. Rittmann and M. Kubli and M. J. Neugebauer and E. Abreu and T. Kubacka and T. Huber and G. Lantz and S. Parchenko and S. Grübel and A. Paarmann and J. Noack and P. Beaud and G. Ingold and U. Aschauer and S. L. Johnson and U. Staub},
  journal= {arXiv preprint arXiv:1805.00580},
  year   = {2018}
}