Abstract
SrTiO3 Grain Boundaries Using an electron microscope with ultrahigh-energy-resolution enables direct imaging of local structure, nonstoichiometry, and chemical bonding, leading to a redistribution of vibrational states within the grain-boundary dislocation cores, as reported by by Eric R. Hoglund, Sokrates T. Pantelides, Patrick E. Hopkins, Jordan A. Hachtel, and co-workers in article number 2208920. Density-functional-theory calculations of thousand-atom supercells show that the unique environment of atoms in the dislocation cores results in new vibrational modes that are highly localized and have energies in the Restrahlen band.
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