Dynamic crystalline materials have emerged as a unique category of condensed phase
matter that combines crystalline lattice with components that display dynamic behavior in the …

The pursuit of structure–property relationships in crystalline metal halide perovskites (MHPs)
has yielded an unprecedented combination of advantageous characteristics for wide …

Ternary nitride semiconductors are rapidly emerging as a promising class of materials for
energy conversion applications, offering an appealing combination of strong light absorption …

Lattice dynamics are critical to photovoltaic material performance, governing dynamic
disorder, hot-carrier cooling, charge-carrier recombination, and transport. Soft metal-halide …

Raman spectroscopy is a powerful and nondestructive method that is widely used to study
the vibrational properties of solids or molecules. Simulations of finite-temperature Raman …

Halide perovskites show great optoelectronic performance, but their favorable properties are
paired with unusually strong anharmonicity. It was proposed that this combination derives …

The atomic motion controls important properties of materials, such as thermal transport,
phase transitions, and vibrational spectra. However, simulating the ionic dynamics is …

We combine temperature-dependent low-frequency Raman measurements and first-
principles calculations to obtain a mechanistic understanding of the order–disorder phase …

We report a comparative study of temperature-dependent photoluminescence and structural
dynamics of two perovskite semiconductors, the chalcogenide BaZrS 3 and the halide Cs Pb …

Anharmonic atomic motions can strongly influence the optoelectronic properties of materials
but how these effects are connected to the underlying phonon band structure is not …