[HTML][HTML] A perspective on conventional high-temperature superconductors at high pressure: Methods and materials
Two hydrogen-rich materials, H 3 S and LaH 10, synthesized at megabar pressures, have
revolutionized the field of condensed matter physics providing the first glimpse to the …
revolutionized the field of condensed matter physics providing the first glimpse to the …
Temperature and pressure induced structural transitions of lead iodide perovskites
During the past fourteen years, conventional lead iodide perovskites, APbI3 [A= Cs+,
methylammonium (CH3NH3+) and formamidinium (NH2CHNH2+)], have emerged as the …
methylammonium (CH3NH3+) and formamidinium (NH2CHNH2+)], have emerged as the …
Halide perovskites and high-pressure technologies: a fruitful encounter
Recent decades have witnessed significant progress in halide perovskites, a rising star in
emerging optoelectronic technology. Their development appeared to have reached a …
emerging optoelectronic technology. Their development appeared to have reached a …
Pressure-induced locking of methylammonium cations versus amorphization in hybrid lead iodide perovskites
A Francisco-López, B Charles, OJ Weber… - The Journal of …, 2018 - ACS Publications
The structural phase behavior of high-quality single crystals of methylammonium lead iodide
(CH3NH3PbI3 or MAPbI3) was revisited by combining Raman scattering and …
(CH3NH3PbI3 or MAPbI3) was revisited by combining Raman scattering and …
Local order and rotational dynamics in mixed A-cation lead iodide perovskites
Halide perovskites containing a mixture of formamidinium (FA+), methylammonium (MA+)
and cesium (Cs+) cations are the actual standard for obtaining record-efficiency perovskite …
and cesium (Cs+) cations are the actual standard for obtaining record-efficiency perovskite …
[HTML][HTML] Structure and binding in halide perovskites: Analysis of static and dynamic effects from dispersion-corrected density functional theory
H Beck, C Gehrmann, DA Egger - APL Materials, 2019 - pubs.aip.org
We investigate the impact of various levels of approximation in density functional theory
calculations for the structural and binding properties of the prototypical halide perovskite …
calculations for the structural and binding properties of the prototypical halide perovskite …
[HTML][HTML] Hybrid perovskites under pressure: Present and future directions
A Celeste, F Capitani - Journal of Applied Physics, 2022 - pubs.aip.org
Hybrid organic–inorganic perovskites (HOIPs) have emerged as outstanding candidates for
high-performance photovoltaic devices, and a large variety of HOIPs has been synthesized …
high-performance photovoltaic devices, and a large variety of HOIPs has been synthesized …
[HTML][HTML] Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE)
In materials science, the quest to find stable low energy structures is of great significance.
Over the past two decades, the Minima Hopping algorithm has emerged as a successful tool …
Over the past two decades, the Minima Hopping algorithm has emerged as a successful tool …
Rare-earth magnetic nitride perovskites
JA Flores-Livas, R Sarmiento-Pérez… - Journal of Physics …, 2019 - iopscience.iop.org
We propose perovskite nitrides with magnetic rare-earth metals as novel materials with a
range of technological applications. These materials appear to be thermodynamically stable …
range of technological applications. These materials appear to be thermodynamically stable …
Experimental absence of the non-perovskite ground state phases of MaPbI 3 explained by a Funnel Hopping Monte Carlo study based on a neural network potential
JA Finkler, S Goedecker - Materials Advances, 2023 - pubs.rsc.org
Methylammonium lead iodide is a material known for its exceptional opto-electronic
properties that make it a promising candidate for many high performance applications, such …
properties that make it a promising candidate for many high performance applications, such …