Core-level shifts in x-ray photoelectron spectroscopy of arsenic defects in silicon crystal: A first-principles study

We systematically investigated the arsenic (As) 3d core-level x-ray photoelectron spectroscopy (XPS) binding energy and formation energy for As defects in silicon by first-principles calculation with a high accuracy of 0.1 eV by careful evaluation of the supercell size. For As, we adopt a pseudopote...

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Bibliographic Details
Main Authors: Jun Yamauchi, Yoshihide Yoshimoto, Yuji Suwa
Format: Article
Language:English
Published: AIP Publishing LLC 2020-11-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0025316