Book contents
- Frontmatter
- Dedication
- Contents
- Boxes
- Preface
- Part 1 Getting Started
- Part II Static Properties
- Part III Dynamical Properties
- 9 Lattice Dynamics
- 10 Density’Functional Perturbation Theory
- 11 Dielectric Properties
- 12 Phonons
- 13 Vibrational Spectroscopy
- 14 A Few Examples of Phonon Analysis
- 15 Advanced Topics in Density Functional Perturbation Theory
- 16 Molecular Dynamics
- 17 Analysis of theMolecular Dynamics Simulations
- 18 Computational Perspectives
- References
- Index
13 - Vibrational Spectroscopy
from Part III - Dynamical Properties
Published online by Cambridge University Press: 21 May 2026
Book contents
- Frontmatter
- Dedication
- Contents
- Boxes
- Preface
- Part 1 Getting Started
- Part II Static Properties
- Part III Dynamical Properties
- 9 Lattice Dynamics
- 10 Density’Functional Perturbation Theory
- 11 Dielectric Properties
- 12 Phonons
- 13 Vibrational Spectroscopy
- 14 A Few Examples of Phonon Analysis
- 15 Advanced Topics in Density Functional Perturbation Theory
- 16 Molecular Dynamics
- 17 Analysis of theMolecular Dynamics Simulations
- 18 Computational Perspectives
- References
- Index
Summary
The first part of the phonon analysis is focused on the Gamma point. This leads to defining the infrared and Raman spectroscopies. The dispersion of the acoustic modes around Gamma defines the Brillouin spectroscopy. We introduce third-order derivatives of the energy to obtain the Raman tensors.
Information
- Type
- Chapter
- Information
- Computational Mineral PhysicsA Practical Guide for Earth Scientists, pp. 208 - 221Publisher: Cambridge University PressPrint publication year: 2026
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