258
13 Introduction
O-Cu(001) surface could not be realized by using the uniform one-dimensional SPB
model.
13.3 Objectives
The main aim of this part is to show that an extension of the H 2 O molecule to
oxide formation, a model of the 3D SPB model, and the VLEED decoding strategies
has enabled the combination of VLEED, STM, and PES to provide comprehensive
information about the following:
• Quantification of the bond geometry, bond length, and the CuO–Cu 3 O 2 transition four-stage bonding dynamics
• Specification of surface atomic valance states and the four signatures of valence
DOS
• Description of the anisotropy and nonuniformity of the SPB
• Determination of the reduced work function and inner potential constant due to
oxidation
• Derivation of the deformed 2D Brillouin zones and the effective electron
masses at zone boundaries
• Clarification of factors controlling bond formation and forces driving the reconstruction
• Confirmation of the tetrahedron bond formation and atomic undercoordination
derived surface bond contraction
• Specification of the STM/S, PES and VLEED spectral signatures
13.4 Scope
VLEED is the unique technique that collects information from the skin region about
the networking bond geometry of the outermost atomic layer and the electronic
energy distribution in real and momentum domains. Interplaying with STM and
PES, VLEED at E ≤ 16.0 eV can reveal the bond breaking and making dynamics and
the associated variation of the valence DOS and the surface potential barrier (SPB)
for chemisorbed surfaces. An examination of the VLEED sensitivity to calculation
parameters indicates that the bond geometry and the elastic potential define the
VLEED fine-structure features while the inelastic damping dominated by electrons
located in the second atomic layer and above determines the spectral intensity.
Decoding the azimuth angular-resolved VLEED profiles yielded statistic information about the deformation of the Brillouin zones, bond geometry, and the reduction of both the muffin-tin inner potential constant and the work function of oxygen
chemisorbed surface. It is essential to take the SPB anisotropy and the nonuniformity
of valence charge distribution in real space into consideration. Excitingly, the reaction upon oxygen exposure increase demonstrates four-step transition from the CuO 2
13 Introduction
O-Cu(001) surface could not be realized by using the uniform one-dimensional SPB
model.
13.3 Objectives
The main aim of this part is to show that an extension of the H 2 O molecule to
oxide formation, a model of the 3D SPB model, and the VLEED decoding strategies
has enabled the combination of VLEED, STM, and PES to provide comprehensive
information about the following:
• Quantification of the bond geometry, bond length, and the CuO–Cu 3 O 2 transition four-stage bonding dynamics
• Specification of surface atomic valance states and the four signatures of valence
DOS
• Description of the anisotropy and nonuniformity of the SPB
• Determination of the reduced work function and inner potential constant due to
oxidation
• Derivation of the deformed 2D Brillouin zones and the effective electron
masses at zone boundaries
• Clarification of factors controlling bond formation and forces driving the reconstruction
• Confirmation of the tetrahedron bond formation and atomic undercoordination
derived surface bond contraction
• Specification of the STM/S, PES and VLEED spectral signatures
13.4 Scope
VLEED is the unique technique that collects information from the skin region about
the networking bond geometry of the outermost atomic layer and the electronic
energy distribution in real and momentum domains. Interplaying with STM and
PES, VLEED at E ≤ 16.0 eV can reveal the bond breaking and making dynamics and
the associated variation of the valence DOS and the surface potential barrier (SPB)
for chemisorbed surfaces. An examination of the VLEED sensitivity to calculation
parameters indicates that the bond geometry and the elastic potential define the
VLEED fine-structure features while the inelastic damping dominated by electrons
located in the second atomic layer and above determines the spectral intensity.
Decoding the azimuth angular-resolved VLEED profiles yielded statistic information about the deformation of the Brillouin zones, bond geometry, and the reduction of both the muffin-tin inner potential constant and the work function of oxygen
chemisorbed surface. It is essential to take the SPB anisotropy and the nonuniformity
of valence charge distribution in real space into consideration. Excitingly, the reaction upon oxygen exposure increase demonstrates four-step transition from the CuO 2