Chapter 22
Layered Structures
Abstract Multifield perturbation on the phonon-frequency shift of the twodimensional black phosphorus (BP), graphene, and MX 2 (M=Mo, W; X=S, Se)
semiconductors features directly the bond order-length-energy (z, d, E). Theoretical
reproduction of the spectroscopic measurement has turned out quantitative information of the bond length, bond energy, bond nature index, binding energy density,
atomic cohesive energy, bond force constant, Debye temperature, and elastic modulus for the layered structures, and discrimination of the bonding origins for the
phonon frequency shift. Progress exemplifies not only the essentiality of the theoretical framework but also the immense power of the theory-driven multifield phonon
spectrometrics in probing the atomistic, dynamics, and quantitative information on
the local bonding dynamics under perturbation.
Highlights
• Atomic-undercoordination induced phonon relaxation imprints the bond orderlength-energy.
• Compression stiffened phonons yield the binding energy density and elastic
modulus.
• Phonon Debye thermal decay turns out Debye temperature and atomic cohesive
energy.
• Stretching induced phonon band softening and splitting turns out single bond force
constant.
22.1 Wonders of the 2D Structures
Two-dimensional (2-D) substance such as black phosphorus (BP), graphene nanoribbon (GNR), and transition metal dichalcogenides MX 2 (M=Mo, W; X=S, Se) have
emerged as an amazing group of materials with high tunability of chemical and
physical properties that do not demonstrate by their bulk parents [1–3]. For example,
© 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_22
415
Layered Structures
Abstract Multifield perturbation on the phonon-frequency shift of the twodimensional black phosphorus (BP), graphene, and MX 2 (M=Mo, W; X=S, Se)
semiconductors features directly the bond order-length-energy (z, d, E). Theoretical
reproduction of the spectroscopic measurement has turned out quantitative information of the bond length, bond energy, bond nature index, binding energy density,
atomic cohesive energy, bond force constant, Debye temperature, and elastic modulus for the layered structures, and discrimination of the bonding origins for the
phonon frequency shift. Progress exemplifies not only the essentiality of the theoretical framework but also the immense power of the theory-driven multifield phonon
spectrometrics in probing the atomistic, dynamics, and quantitative information on
the local bonding dynamics under perturbation.
Highlights
• Atomic-undercoordination induced phonon relaxation imprints the bond orderlength-energy.
• Compression stiffened phonons yield the binding energy density and elastic
modulus.
• Phonon Debye thermal decay turns out Debye temperature and atomic cohesive
energy.
• Stretching induced phonon band softening and splitting turns out single bond force
constant.
22.1 Wonders of the 2D Structures
Two-dimensional (2-D) substance such as black phosphorus (BP), graphene nanoribbon (GNR), and transition metal dichalcogenides MX 2 (M=Mo, W; X=S, Se) have
emerged as an amazing group of materials with high tunability of chemical and
physical properties that do not demonstrate by their bulk parents [1–3]. For example,
© 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_22
415