Ab initio calculation of phonon dispersions in semiconductors P Giannozzi, S De Gironcoli, P Pavone, S Baroni
Physical Review B 43 (9), 7231, 1991
2207 1991 ElaStic: A tool for calculating second-order elastic constants from first principles R Golesorkhtabar, P Pavone, J Spitaler, P Puschnig, C Draxl
Computer Physics Communications 184 (8), 1861-1873, 2013
482 2013 Exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory A Gulans, S Kontur, C Meisenbichler, D Nabok, P Pavone, S Rigamonti, ...
Journal of Physics: Condensed Matter 26 (36), 363202, 2014
405 2014 Ab initio lattice dynamics of diamondP Pavone, K Karch, O Schütt, D Strauch, W Windl, P Giannozzi, S Baroni
Physical Review B 48 (5), 3156, 1993
377 1993 Ab initio calculation of structural and lattice-dynamical properties of silicon carbideK Karch, P Pavone, W Windl, O Schütt, D Strauch
Physical Review B 50 (23), 17054, 1994
262 1994 Phonon dispersion curves in wurtzite-structure GaN determined by inelastic x-ray scattering T Ruf, J Serrano, M Cardona, P Pavone, M Pabst, M Krisch, M D'astuto, ...
Physical review letters 86 (5), 906, 2001
254 2001 Electron-phonon coupling in the metallic elements Al, Au, Na, and Nb: A first-principles study R Bauer, A Schmid, P Pavone, D Strauch
Physical Review B 57 (18), 11276, 1998
183 1998 Pressure-dependent properties of SiC polytypes K Karch, F Bechstedt, P Pavone, D Strauch
Physical Review B 53 (20), 13400, 1996
173 1996 Vibrational modes and low-temperature thermal properties of graphene and carbon nanotubes: Minimal force-constant model J Zimmermann, P Pavone, G Cuniberti
Physical Review B—Condensed Matter and Materials Physics 78 (4), 045410, 2008
168 2008 α↔ β phase transition in tin: A theoretical study based on density-functional perturbation theory P Pavone, S Baroni, S de Gironcoli
Physical Review B 57 (17), 10421, 1998
154 * 1998 Ab initio calculation of the structure, electronic states, and the phonon dispersion of the Si (100) surface J Fritsch, P Pavone
Surface science 344 (1-2), 159-173, 1995
143 1995 Second-order Raman spectra of diamond from ab initio phonon calculations W Windl, P Pavone, K Karch, O Schütt, D Strauch, P Giannozzi, S Baroni
Physical Review B 48 (5), 3164, 1993
136 1993 Anharmonic line shift and linewidth of the Raman mode in covalent semiconductors G Lang, K Karch, M Schmitt, P Pavone, AP Mayer, RK Wehner, D Strauch
Physical Review B 59 (9), 6182, 1999
119 1999 Dependence of the crystal lattice constant on isotopic composition: Theory and ab initio calculations for C, Si, and Ge P Pavone, S Baroni
Solid state communications 90 (5), 295-297, 1994
107 1994 Ab initio calculation of structural, lattice dynamical, and thermal properties of cubic silicon carbide K Karch, P Pavone, W Windl, D Strauch, F Bechstedt
International Journal of Quantum Chemistry 56 (6), 801-817, 1995
102 1995 Determination of the phonon dispersion of zinc blende J Serrano, J Strempfer, M Cardona, M Schwoerer-Böhning, H Requardt, ...
Applied physics letters 80 (23), 4360-4362, 2002
99 2002 Inelastic-neutron-scattering study of phonon eigenvectors and frequencies in Si J Kulda, D Strauch, P Pavone, Y Ishii
Physical Review B 50 (18), 13347, 1994
98 1994 Ab initio lattice dynamics and charge fluctuations in alkaline-earth oxides O Schütt, P Pavone, W Windl, K Karch, D Strauch
Physical Review B 50 (6), 3746, 1994
98 1994 Pressure induced frequency shifts of transverse acoustic phonons in germanium to 9.7 GPa S Klotz, JM Besson, M Braden, K Karch, P Pavone, D Strauch, ...
Physical review letters 79 (7), 1313, 1997
81 1997 Ab initio calculation of surface phonons in GaAs (110) J Fritsch, P Pavone, U Schröder
Physical review letters 71 (25), 4194, 1993
80 1993 