502
Appendix A: Advantages and Limitations of the Electron and Phonon …
Table A.1
Advantages, capabilities, and limitations of the electron and phonon spectrometrics. Excises have opened a subject paving the path toward
conventionally-unexpected information and consistent insight into the intrinsic bond-electron-property cooperativity of substance
Spectrometrics
Experimentally-orientated spectroscopy data processing
Phonon relaxation (DPS) [1–3] (2007–2020) Electron emission (ZPS) [4, 5] (2004–15)
Electron diffraction (VLEED) [6, 7]
(1992–2003)
Conventional spectroscopy Peak decomposition needing constraints, peak maximal normalization, artificial/extrinsic
factors involvement; empirical description with freely adjustable parameters
Hard sphere dislocation scheme incapable of
reproducing measurements
Objective
Ever-unknown information and comprehension
Strategic principles
• The nature of the chemical bond bridges the structures and properties of crystals and
molecules [8]
• Bond and nonbond relaxation and the associated localization, entrapment, and polarization
of energetic electrons mediate the macroscopic performance of substance [6]
• Fourier real-energy-domain transition enables the average-bond oscillating dynamics
Multi-beam interference by crystal geometry
and by elastic and damping surface potential
barrier
Key strategy
ω ∝ (E
z /d 2
) 1/2
(Lagrangian oscillation [9])
Phonon frequency shift and repopulation
E
ν ∝ E z (Tight binding [10])
Binding energy shift and electronic states
Bond geometry—atomic position
conversion; SPB least parameterization;
computer auto-optimization
Generlization
Logic correct, concise, and consistence; free from artificial assumption; least calculations
A detectable quantity
Q(x i )/Q(x
i0 )
= f[x
i , d(x
i ), E(x
i )] functionalization on stimuli x
i
(atomic site-resolved Y
z
∝ E
z /d 3
z ; T
Cz
∝ zE
z ;
E Gz
∝ E z ; etc.)
Chemisorption bond-band-barrier dynamics;
SPB-geometry superposition; massive
computation
Detecitng sources
Light of various wave lengths;
Phonon reflection and absorption
X-ray, UV light, electron, electric bias;
electron emission
LEED beam (6–16 eV) (00) pattern I–V
curve
Experimental conditions
Unnecessary
Ultrahigh vacuum; conductor or
semiconductor
Ultrahigh vacuum; dedicated and
sophisticated data collection
Artefacts
Nonlinear contribution at equilibrium is out of instrument resolution
–
(continued)
Appendix A: Advantages and Limitations of the Electron and Phonon …
Table A.1
Advantages, capabilities, and limitations of the electron and phonon spectrometrics. Excises have opened a subject paving the path toward
conventionally-unexpected information and consistent insight into the intrinsic bond-electron-property cooperativity of substance
Spectrometrics
Experimentally-orientated spectroscopy data processing
Phonon relaxation (DPS) [1–3] (2007–2020) Electron emission (ZPS) [4, 5] (2004–15)
Electron diffraction (VLEED) [6, 7]
(1992–2003)
Conventional spectroscopy Peak decomposition needing constraints, peak maximal normalization, artificial/extrinsic
factors involvement; empirical description with freely adjustable parameters
Hard sphere dislocation scheme incapable of
reproducing measurements
Objective
Ever-unknown information and comprehension
Strategic principles
• The nature of the chemical bond bridges the structures and properties of crystals and
molecules [8]
• Bond and nonbond relaxation and the associated localization, entrapment, and polarization
of energetic electrons mediate the macroscopic performance of substance [6]
• Fourier real-energy-domain transition enables the average-bond oscillating dynamics
Multi-beam interference by crystal geometry
and by elastic and damping surface potential
barrier
Key strategy
ω ∝ (E
z /d 2
) 1/2
(Lagrangian oscillation [9])
Phonon frequency shift and repopulation
E
ν ∝ E z (Tight binding [10])
Binding energy shift and electronic states
Bond geometry—atomic position
conversion; SPB least parameterization;
computer auto-optimization
Generlization
Logic correct, concise, and consistence; free from artificial assumption; least calculations
A detectable quantity
Q(x i )/Q(x
i0 )
= f[x
i , d(x
i ), E(x
i )] functionalization on stimuli x
i
(atomic site-resolved Y
z
∝ E
z /d 3
z ; T
Cz
∝ zE
z ;
E Gz
∝ E z ; etc.)
Chemisorption bond-band-barrier dynamics;
SPB-geometry superposition; massive
computation
Detecitng sources
Light of various wave lengths;
Phonon reflection and absorption
X-ray, UV light, electron, electric bias;
electron emission
LEED beam (6–16 eV) (00) pattern I–V
curve
Experimental conditions
Unnecessary
Ultrahigh vacuum; conductor or
semiconductor
Ultrahigh vacuum; dedicated and
sophisticated data collection
Artefacts
Nonlinear contribution at equilibrium is out of instrument resolution
–
(continued)