Strain propagation in nanolayered perovskites probed by ultrafast x-ray diffraction

Schmising, Clemens von Korff; Bargheer, Matias; Kiel, M.; Zhavoronkov, N.; Woerner, M.; Elsaesser, Thomas; Vrejoiu, Ionela; Hesse, D.; Alexe, Marin

doi:10.1103/physrevb.73.212202

Cited by 26 publications

(20 citation statements)

References 20 publications

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“…4(a)). This expansion originates from the unbalanced stress at the interfaces of the SL with the substrate and with air [14] and the resulting strain propagates through the entire SL structure. One expects the SL Bragg peaks to shift on a time scale T = N · d SL /v ph ≈ 30 ps, where N = 15 is the number of SL layer pairs and v ph ≈ 5 nm/ps the velocity of sound, a behavior borne out by the data of Fig.…”

Section: Lattice Dynamics Of Ferroelectric Superlatticesmentioning

confidence: 99%

“…In bulk materials, the spatial stress profile is mainly determined by the pump beam geometry and the optical penetration depth. The generated lattice elongations cover a broader range of k-vectors and the generated strain propagates through the bulk of the excited crystal [14]. In contrast, periodic systems such as superlattices (SLs), i.e., a sequence of nanometerthick layer pairs with layers made from different materials, allow for a spatially distributed and tailored excitation profile by, e.g., exciting only one layer type [15].…”

Section: Introductionmentioning

confidence: 99%

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Ultrafast structural dynamics of perovskite superlattices

et al. 2009

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Femtosecond x-ray diffraction provides direct insight into the ultrafast reversible lattice dynamics of materials with a perovskite structure. Superlattice (SL) structures consisting of a sequence of nanometer-thick layer pairs allow for optically inducing a tailored stress profile that drives the lattice motions and for limiting the influence of strain propagation on the observed dynamics. We demonstrate this concept in a series of diffraction experiments with femtosecond time resolution, giving detailed information on the ultrafast lattice dynamics of ferroelectric and ferromagnetic superlattices. Anharmonically coupled lattice motions in a SrRuO 3 /PbZr 0.2 Ti 0.8 O 3 (SRO/PZT) SL lead to a switch-off of the electric polarizations on a time scale of the order of 1 ps. Ultrafast magnetostriction of photoexcited SRO layers is demonstrated in a SRO/SrTiO 3 (STO) SL.

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Section: Lattice Dynamics Of Ferroelectric Superlatticesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Ultrafast structural dynamics of perovskite superlattices

et al. 2009

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“…Early work in femtosecond X-ray diffraction has focused on irreversible structural changes such as melting of crystalline samples which is connected with a strong intensity loss or even total disappearance of Bragg peaks [3,13,20]. The recently developed highly stable X-ray sources, in particular those working at kilohertz repetition rates, allow for studying much more subtle structural changes, including fully reversible processes [21][22][23][24][25][26][27]. The smallest measured changes of lattice constants are of the order of Da=a 0 ¼ 10 À5 .…”

Section: Mapping Ultrafast Structural Dynamicsmentioning

confidence: 97%

Real-time studies of reversible lattice dynamics by femtosecond X-ray diffraction

Schmising¹,

Bargheer²,

Woerner³

et al. 2008

Zeitschrift Für Kristallographie - Crystalline Materials

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Ultrafast X-ray diffraction allows for observing structural dynamics of condensed matter in real-time, in this way directly probing reversible and irreversible geometry changes on atomic length and time scales. This article reports recent progress in this rapidly developing field, focusing on experimental work performed with laserdriven X-ray sources. After an introduction into the stateof-the-art methods for generation and measurement, we discuss coherent lattice motions of ferroelectric nanolayered systems and structural dynamics related to polar dipole solvation in bulk molecular crystals.

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“…Femtosecond x-ray diffraction experiments have provided detailed insight into the dynamics of semiconductor 45 and perovskite SLs, [77][78][79][80][81][82][83][84][85] in the latter including ultrafast motions along different anharmonically coupled lattice coordinates. 79 Here, we present results for the ferromagnetic SRO/STO superlattice structure introduced in Fig.…”

Section: A Real-space Atomic Motions and Vibrational Dynamicsmentioning

confidence: 99%

Fitting coupled potential energy surfaces for large systems: Method and construction of a 3-state representation for phenol photodissociation in the full 33 internal degrees of freedom using multireference configuration interaction determined data

Zhu

Yarkony

2014

The Journal of Chemical Physics

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A recently reported algorithm for representing adiabatic states coupled by conical intersections using a quasi-diabatic state Hamiltonian in four and five atom systems is extended to treat nonadiabatic processes in considerably larger molecules. The method treats all internal degrees of freedom and uses electronic structure data from ab initio multireference configuration interaction wave functions with nuclear configuration selection based on quasi-classical surface hopping trajectories. The method is shown here to be able to treat ∼30 internal degrees of freedom including dissociative and large amplitude internal motion. Two procedures are introduced which are essential to the algorithm, a null space projector which removes basis functions from the fitting process until they are needed and a partial diagonalization technique which allows for automated, but accurate, treatment of the vicinity of extended seams of conical intersections of two or more states. These procedures are described in detail. The method is illustrated using the photodissociaton of phenol, C6H5OH(${\rm \tilde X}{}^{1} A^{\prime} $X̃1A′) + hv → C6H5OH($\tilde A{}^{1} A^{\prime} $Ã1A′, ${\rm \tilde B}{}^{\rm 1}{\rm A^{\prime \prime} }$B̃1A′′) → C6H5O(${\rm \tilde X}{}^2{\rm B}_1$X̃2B1, ${\rm \tilde A}{}^2{\rm B}_2$Ã2B2) + H as a test case. Ab initio electronic structure data for the 1,2,31A states of phenol, which are coupled by conical intersections, are obtained from multireference first order configuration interaction wave functions. The design of bases to simultaneously treat large amplitude motion and dissociation is described, as is the ability of the fitting procedure to smooth the irregularities in the electronic energies attributable to the orbital changes that are inherent to nonadiabatic processes.

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Strain propagation in nanolayered perovskites probed by ultrafast x-ray diffraction

Cited by 26 publications

References 20 publications

Ultrafast structural dynamics of perovskite superlattices

Ultrafast structural dynamics of perovskite superlattices

Real-time studies of reversible lattice dynamics by femtosecond X-ray diffraction

Fitting coupled potential energy surfaces for large systems: Method and construction of a 3-state representation for phenol photodissociation in the full 33 internal degrees of freedom using multireference configuration interaction determined data

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