2 papers
cond-mat.mtrl-sci2026
Phonon Band Center: A Robust Descriptor to Capture Anharmonicity
Madhubanti Mukherjee, Ashutosh Srivastava, Abhishek Kumar Singh
Understanding anharmonicity is crucial for designing materials with desired lattice thermal conductivity. Designing a material descriptor that effectively captures anharmonicity wh…
cond-mat.mtrl-sci2025
Coupled Structural and Electronic Requirements in Alpha-FASnI3 Imposed by the Sn(II) Lone Pair
Mridhula Venkatanarayanan, Vladislav Slama, Madhubanti Mukherjee +3
Alpha-Formamidinium-tin-iodide (alpha-FASnI3) is a leading candidate for lead-free photovoltaic applications, adopting a nearly cubic structure at room temperature, but its stabili…