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cond-mat.mtrl-sci2022★ 3 cited
Accurate computation of chemical contrast in field ion microscopy
Shalini Bhatt, Shyam Katnagallu, Jörg Neugebauer +1
We present a computational approach to simulate local contrast observed in Field Ion Microscopy (FIM). It is based on density-functional theory utilizing the Tersoff-Hamann approac…
cond-mat.mtrl-sci2022★ 7 cited
Ab initio vacancy formation energies and kinetics at metal surfaces under high electric field
Shyam Katnagallu, Christoph Freysoldt, Baptiste Gault +1
Recording field ion microscope images under field evaporating conditions and subsequently reconstructing the underlying atomic configuration, called three-dimensional field ion mic…