Abstract

We present a new scheme to study the linear response of crystals which combines the advantages of the dielectric-matrix and supercell (``direct'') approaches yet avoids many of their drawbacks. The numerical complexity of the algorithm is of the same order as that of a self-consistent calculation for the unperturbed system. The method is not restricted to local perturbations as the dielectric-matrix one nor to short wavelengths as the direct one. As an application, we calculate the long-wavelength optical phonons in Si and GaAs, both transverse and longitudinal, using norm-conserving pseudopotentials, and without any use of supercells.

Keywords

WavelengthDielectric responseDielectricDielectric functionPhysicsMatrix (chemical analysis)Order (exchange)Function (biology)OpticsCondensed matter physicsComputational physicsStatistical physicsMaterials scienceQuantum mechanics

Affiliated Institutions

Related Publications

Introduction to Fourier optics

The fourth edition of this respected text considerably expands the original and reflects the tremendous advances made in the discipline since 1968. All material has been thoroug...

1968 10172 citations

Publication Info

Year
1987
Type
article
Volume
58
Issue
18
Pages
1861-1864
Citations
2040
Access
Closed

External Links

Social Impact

Social media, news, blog, policy document mentions

Citation Metrics

2040
OpenAlex

Cite This

Stefano Baroni, Paolo Giannozzi, Andrea Testa (1987). Green’s-function approach to linear response in solids. Physical Review Letters , 58 (18) , 1861-1864. https://doi.org/10.1103/physrevlett.58.1861

Identifiers

DOI
10.1103/physrevlett.58.1861