First-principles core-level X-ray photoelectron spectroscopy calculation on arsenic defects in silicon crystal
2014
We investigate the X-ray photoelectron spectroscopy (XPS) binding energies of As 3d in Si for various defects in neutral and charged states by first-principles calculation. It is found that the complexes of a substitutional As and a vacancy in charged and neutral states explain the experimentally observed unknown peak very well.
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