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cond-mat.mtrl-sci2024★ 1 cited
The Effect of Overdamped Phonons on the Fundamental Band Gap of Perovskites
Xiangzhou Zhu, David A. Egger
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 under…
cond-mat.mtrl-sci2024
Accurate Description of Ion Migration in Solid-State Ion Conductors from Machine-Learning Molecular Dynamics
Takeru Miyagawa, Namita Krishnan, Manuel Grumet +3
Solid-state ion conductors (SSICs) have emerged as a promising material class for electrochemical storage devices and novel compounds of this kind are continuously being discovered…