The atomic motion controls important properties of materials, such as thermal transport, phase transitions, and vibrational spectra. However, simulating the ionic dynamics is exceptionally challenging when quantum fluctuations are relevant (e.g., at low te ...
Inverted perovskite solar cells (PSCs) have attracted increasing attention in recent years owing to their low-temperature fabrication proces s. However, they suffer from a limited number of electron transport materials available with [6,6]-phenyl C-61 buty ...
In the third study, the order-disorder phase transition of single-crystal C60 is studied using time-resolved electron microscopy. Solid C60 undergoes a first-order phase transition upon heating to 260 K. This is a structural transition from the low-tempera ...
Piezoelectrics play a significant role in modern electronics and electric devices. Thermal or mechanical stress on such materials induces a change in polarization generating an electric response, which is the sole effect of why they are so interesting. How ...
The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...
Barocaloric (BC) materials provide cheaper and more energy efficient alternatives to traditional refrigerants. Some liquid alkanes were recently shown to exhibit a colossal BC effect, matching the entropy changes in commercial vapour-liquid refrigerants. D ...
We examine the role of charge, structural, and spin degrees of freedom in the previously poorly understood phase transition in the 5d1 transition-metal double perovskite Cs2TaCl6 using a combination of computational and experimental techniques. Our heat ca ...
In rare earth nickelates, the metal-to-insulator transition observed as a function of temperature can be described using an electronic and a structural order parameter. The electronic one is linked to the electronic disproportionation observed below the tr ...
CsSnI3 is a promising ecofriendly solution for energy harvesting technologies. It exists at room temperature in either a black perovskite polymorph or a yellow 1D double-chain, which irreversibly deteriorates in the air. In this work, we unveil the relativ ...
Collective spin excitations propagating in magnetically ordered materials are called spin waves (SWs) or magnons. They are promising for low-power and beyond-CMOS information processing, which do not suffer from the ohmic losses. SWs in ferromagnets (antif ...
