Chapter 15
Methodology: Parameterization
Abstract Translating atomic dislocations into the tetrahedron bond geometry
and correlating the ReV(z) and ImV(z, E) through Poisson’s equation not only reduce
largely the number of SPB freely adjustable parameters but also properly describes
the true processes of VLEED. The integral of the elastic ReV(z) determines the phase
shift and the integral of the inelasstic ImV(z, E) dictates the amplitude loss of the
diffracted electron beams. Preliminary calculations justified consistently the validity
of the parameterization, decoding method, calculation code and the bond and the
SPB models.
Highlights
• The oxide tetrahedron and the 3D-SPB frame the STM/S observations.
• The SPB parameterization describes the spatial and energetic distribution of
electrons.
• Relaxation of bond length and geometry sources the valence states and SPB.
• Parameterization is justified valid and meaningful.
15.1 Decoding Methodology
15.1.1 Data Calibration
Numerical processing the measured VLEED I–E spectra is essential to the understanding of the physics behind the experimental observations and hence to justify
the models proposed. Digitization and calibration of the experimental data are the
essential stage before computation. Inappropriate calibration of the measured data
may mislead conclusions, and therefore, careful and reasonable calibration of the
data is important prior to the numerical processing.
© The Editor(s) (if applicable) and The Author(s), under exclusive license
to Springer Nature Singapore Pte Ltd. 2020
C. Q. Sun, Electron and Phonon Spectrometrics,
https://doi.org/10.1007/978-981-15-3176-7_15
299
Methodology: Parameterization
Abstract Translating atomic dislocations into the tetrahedron bond geometry
and correlating the ReV(z) and ImV(z, E) through Poisson’s equation not only reduce
largely the number of SPB freely adjustable parameters but also properly describes
the true processes of VLEED. The integral of the elastic ReV(z) determines the phase
shift and the integral of the inelasstic ImV(z, E) dictates the amplitude loss of the
diffracted electron beams. Preliminary calculations justified consistently the validity
of the parameterization, decoding method, calculation code and the bond and the
SPB models.
Highlights
• The oxide tetrahedron and the 3D-SPB frame the STM/S observations.
• The SPB parameterization describes the spatial and energetic distribution of
electrons.
• Relaxation of bond length and geometry sources the valence states and SPB.
• Parameterization is justified valid and meaningful.
15.1 Decoding Methodology
15.1.1 Data Calibration
Numerical processing the measured VLEED I–E spectra is essential to the understanding of the physics behind the experimental observations and hence to justify
the models proposed. Digitization and calibration of the experimental data are the
essential stage before computation. Inappropriate calibration of the measured data
may mislead conclusions, and therefore, careful and reasonable calibration of the
data is important prior to the numerical processing.
© The Editor(s) (if applicable) and The Author(s), under exclusive license
to Springer Nature Singapore Pte Ltd. 2020
C. Q. Sun, Electron and Phonon Spectrometrics,
https://doi.org/10.1007/978-981-15-3176-7_15
299