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cond-mat.mtrl-sci2024
Insights into Chemical and Structural Order at Planar Defects in a Functional Oxide Using Multislice Electron Ptychography
Menglin Zhu, Michael Xu, Yu Yun +7
Switchable order parameters in ferroic materials are essential for functional electronic devices, yet disruptions of the ordering can take the form of planar boundaries or defects…
cond-mat.mtrl-sci2023
Bonding-aware Materials Representation for Deep Learning Atomistic Models
Or Shafir, Ilya Grinberg
Deep potentials for molecular dynamics (MD) achieve first-principles accuracy at much lower computational cost. However, their use in large length- and time-scale simulations is li…
cond-mat.mtrl-sci2021★ 1 cited
Advancing from phenomenological to predictive theory of ferroelectric oxide solution properties through consideration of domain walls
Atanu Samanta, Suhas Yadav, Or Shafir +9
Prediction of properties from composition is a fundamental goal of materials science and can greatly accelerate development of functional materials. It is particularly relevant for…