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- Original idea and first implementation:
S. Baroni, P. Giannozzi, and A. Testa,
``Green’s-function approach to linear response in solids''
Phys. Rev. Lett. 58, 1861 (1987).
P. Giannozzi, S. de Gironcoli, P. Pavone, and S. Baroni,
``Ab initio calculation of phonon dispersions in semiconductors''
Phys. Rev. B 43, 7231 (1991).
- NC, phonon in metals:
S. de Gironcoli,
``Lattice dynamics of metals from density-functional perturbation theory''
Phys. Rev. B 51, 6773 (1995).
- General overview of DFPT:
S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi
``Phonons and related properties of extended systems from density
functional perturbation theory'', Rev. Mod. Phys. 73, 515 (2001).
- NC, Raman tensor:
Michele Lazzeri and Francesco Mauri,
``High-order density-matrix perturbation theory''
Phys. Rev. B 68, 161101 (2003).
- GGA dynamical matrix:
F. Favot and A. Dal Corso,
``Phonon dispersions: Performance of the GGA approximation'',
Phys. Rev. B. 60, 11427 (1999).
- LSDA, spin-GGA dynamical matrix:
A. Dal Corso and S. de Gironcoli,
``Ab-initio phonon dispersions of Fe and Ni'',
Phys. Rev. B 62, 273 (2000).
- US-PPs dynamical matrix:
A. Dal Corso
``Density functional perturbation theory with ultrasoft pseudopotentials'',
Phys. Rev. B 64, 235118 (2001).
- US-PPs dielectric constant:
J. Tóbik and A. Dal Corso,
``Electric fields with ultrasoft pseudo-potentials: applications to
benzene and anthracene'', Jour. of Chem. Phys. 120, 9934 (2004).
- US-PPs + spin-orbit dynamical matrix:
A. Dal Corso, ``Density functional perturbation theory for lattice
dynamics with fully relativistic ultrasoft pseudopotentials: application
to fcc-Pt and fcc-Au'', Phys. Rev. B 76, 054308 (2007).
- PAW dynamical matrix:
A. Dal Corso,
``Density functional perturbation theory within the projector augmented wave
method'', Phys. Rev. B 81, 075123 (2010).
- NC, Electron-phonon interaction:
F. Mauri, O. Zakharov, S. de Gironcoli, S. G. Louie, and M. L. Cohen,
``Phonon Softening and Superconductivity in Tellurium under Pressure''
Phys. Rev. Lett. 77, 1151 (1996).
- US-PPs, Electron-phonon interaction:
M. Wierzbowska, S. de Gironcoli, P. Giannozzi,
``Origins of low- and high-pressure discontinuities of Tc in niobium''
arXiv:cond-mat/0504077.
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Filippo Spiga
2016-10-04