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Halide double perovskites are an interesting alternative to Pb-containing counterparts as active materials in optoelectronic devices. Low-dimensional double perovskites are fabricated by introducing large organic cations, resulting in…

Despite their puzzling vibrational characteristics that include strong signatures of anharmonicity and thermal disorder already around room temperature, halide perovskites exhibit favorable optoelectronic properties for applications in…

Materials Science · Physics 2022-02-08 Christian Gehrmann , Sebastián Caicedo-Dávila , Xiangzhou Zhu , David A. Egger

The lead halide perovskites demonstrate huge potential for optoelectronic applications, high energy radiation detectors, light emitting devices and solar energy harvesting. Those materials exhibit strong spin-orbit coupling enabling…

Nonequilibrium processes occurring in functional materials can significantly impact device efficiencies and are often difficult to characterize due to the broad range of length and time scales involved. In particular, mixed halide hybrid…

Vibrational control (VC) of photochemistry through the optical stimulation of structural dynamics is a nascent concept only recently demonstrated for model molecules in solution. Extending VC to state-of-the-art materials may lead to new…

Two-dimensional halide perovskites are among intensely studied materials platforms profiting from solution based growth and chemical flexibility. They feature exceptionally strong interactions among electronic, optical as well as…

Diffuse scattering around the (110) reciprocal lattice point has been investigated by elastic neutron scattering in the paraelectric and the relaxor phases of the disordered complex perovskite crystal-Pb(Zn1/3Nb2/3)O3(PZN). The appearance…

Materials Science · Physics 2009-11-07 D. La-Orauttapong , J. Toulouse , J. L. Robertson , Z. -G. Ye

Organic-inorganic halide perovskites present a number of challenges for first-principles atomistic materials modelling. These `plastic crystals' feature dynamic processes across multiple length-scales and time-scales, which include: (i)…

Materials Science · Physics 2017-06-09 Lucy D. Whalley , Jarvist M. Frost , Young-Kwang Jung , Aron Walsh

The anharmonic lattice dynamics of oxide and halide perovskites play a crucial role in their mechanical and optical properties. Raman spectroscopy is one of the key methods used to study these structural dynamics. However, despite decades…

We introduce ultrafast low-energy electron diffraction (ULEED) in backscattering for the study of structural dynamics at surfaces. Using a tip-based source of ultrashort electron pulses, we investigate the optically-driven transition…

Mesoscale and Nanoscale Physics · Physics 2020-08-26 S. Vogelgesang , G. Storeck , S. Schramm , K. Rossnagel , S. Schäfer , C. Ropers

Ultrafast vibrational dynamics of inorganic-organic hybrid lead halide perovskite CH3NH3PbI$ in the room-temperature tetragonal phase is investigated under moderate photoexcitation slightly below the band gap. Time-resolved optical Kerr…

Materials Science · Physics 2021-11-02 Kunie Ishioka , Terumasa Tadano , Masatoshi Yanagida , Yasuhiro Shirai , Kenjiro Miyano

Lead-halide perovskites have demonstrated astonishing increases in power conversion efficiency in photovoltaics over the last decade. The most efficient perovskite devices now outperform industry-standard multi-crystalline silicon solar…

Applied Physics · Physics 2023-02-20 Yi-Teng Huang , Sean R. Kavanagh , David O. Scanlon , Aron Walsh , Robert L. Z. Hoye

Perovskite solar cells with record power conversion efficiency are fabricated by alloying both hybrid and fully inorganic compounds. While the basic electronic properties of the hybrid perovskites are now well understood, key electronic…

Microscopic pathways of structural phase transitions are difficult to probe because they occur over multiple, disparate time and length scales. Using $in$ $situ$ nanoscale cathodoluminescence microscopy, we visualize the thermally-driven…

Relaxor ferroelectrics are complex oxide materials which are rather unique to study the effects of compositional disorder on phase transitions. Here, we study the effects of quenched cubic random electric fields on the lattice instabilities…

Materials Science · Physics 2017-06-14 J. R. Arce-Gamboa , G. G. Guzmán-Verri

Halide perovskite solar cells presented a unique opportunity to apply modern computational materials science techniques to an (initially) poorly understood new material. In this review, we recount the key understanding developed during the…

Mesoscale and Nanoscale Physics · Physics 2018-11-07 Jarvist Moore Frost

The hybrid halide perovskite CH3NH3PbI3 exhibits a complex structural behaviour, with successive transitions between orthorhombic, tetragonal and cubic polymorphs at ca. 165 K and 327 K. Herein we report first-principles lattice dynamics…

Amorphous phase-change materials enable fast and reversible switching in optical and electronic devices, yet crystallization kinetics are still controlled primarily through empirical thermal protocols. Here we identify a microscopic picture…

Hybrid organic-inorganic halide perovskites have emerged as a disruptive new class of materials, exhibiting optimum properties for a broad range of optoelectronic applications, most notably for photovoltaics. The first report of highly…

Materials Science · Physics 2018-08-21 Marina R. Filip , George Volonakis , Feliciano Giustino

Density functional theory (DFT) based calculations have been conducted to draw a broad picture of pressure induced band structure evolution in various phases of organic and inorganic halide perovskite materials. Under a wide range of…

Materials Science · Physics 2019-01-23 Yang Huang , Lingrui Wang , Zhuang Ma , Fei Wang