Chapter 17
Brillouin Zones, Effective Mass,
Muffin-tin Potential, and Work Function
Abstract O-Cu(001) chemisorption derives the Cu 3 O 2 pairing-tetrahedronand the
Cu
p :O
2− :Cu
P chains lined along the missing-raw edges, which roughen the SPB
and the surface morphology. At the dipole site, The origin of the SPB moves
√
2z 0
outwardly with
√
2λ 0 saturation degree, at the atomic vacancy site, the SPB is characterized by z 0 /
√
2 and λ 0 /
√
2, with z 0 and λ 0 being the references for clean Cu(001)
surface. Connecting the Bragg diffraction peaks results in the first and the second
two-dimensional Brillouin zones with the 11 direction deformation corresponding
to a 0.22 Å dislocation of the Cu
p towards the MR. Matching the theoretical Brillouin zones derived the electronic effective mass of m
∗
1 = 1.10, and m
∗
2 = 1.14 at the
boundaries.
Highlights
• VLEED probes nondestructively the bond geometry and interatomic charge
transfer.
• Cu 3 O 2 bond formation resolves the missing-row vacancies and the O–Cu–O
chains.
• Charge transition from Cu to O reduces the atomic muffin-tin inner potential
constant.
• Dipole formation pushes the SPB origin outwardly with increasing degree of
saturation.
17.1 Angular-Resolved VLEED Profiles
Hitchen, Thurgate and Jennings measured the VLEED reflectance from an O–
Cu(001) surface under various experimental conditions [1, 2]. These results formed
the unique kinetic-VLEED database available to date. The VLEED (00) beam I–E
profiles to be decoded were collected from a Cu(001) surface exposed to 300 L oxygen. For the symmetry consideration, angles from 18.5° to 63.5° with 5° increment
© 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_17
331
Brillouin Zones, Effective Mass,
Muffin-tin Potential, and Work Function
Abstract O-Cu(001) chemisorption derives the Cu 3 O 2 pairing-tetrahedronand the
Cu
p :O
2− :Cu
P chains lined along the missing-raw edges, which roughen the SPB
and the surface morphology. At the dipole site, The origin of the SPB moves
√
2z 0
outwardly with
√
2λ 0 saturation degree, at the atomic vacancy site, the SPB is characterized by z 0 /
√
2 and λ 0 /
√
2, with z 0 and λ 0 being the references for clean Cu(001)
surface. Connecting the Bragg diffraction peaks results in the first and the second
two-dimensional Brillouin zones with the 11 direction deformation corresponding
to a 0.22 Å dislocation of the Cu
p towards the MR. Matching the theoretical Brillouin zones derived the electronic effective mass of m
∗
1 = 1.10, and m
∗
2 = 1.14 at the
boundaries.
Highlights
• VLEED probes nondestructively the bond geometry and interatomic charge
transfer.
• Cu 3 O 2 bond formation resolves the missing-row vacancies and the O–Cu–O
chains.
• Charge transition from Cu to O reduces the atomic muffin-tin inner potential
constant.
• Dipole formation pushes the SPB origin outwardly with increasing degree of
saturation.
17.1 Angular-Resolved VLEED Profiles
Hitchen, Thurgate and Jennings measured the VLEED reflectance from an O–
Cu(001) surface under various experimental conditions [1, 2]. These results formed
the unique kinetic-VLEED database available to date. The VLEED (00) beam I–E
profiles to be decoded were collected from a Cu(001) surface exposed to 300 L oxygen. For the symmetry consideration, angles from 18.5° to 63.5° with 5° increment
© 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_17
331