First-principles computation of material properties: the ABINIT software project X Gonze, JM Beuken, R Caracas, F Detraux, M Fuchs, GM Rignanese, ...
Computational Materials Science 25 (3), 478-492, 2002
3745 2002 ABINIT: First-principles approach to material and nanosystem properties X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ...
Computer Physics Communications 180 (12), 2582-2615, 2009
3039 2009 A brief introduction to the ABINIT software package X Gonze, GM Rignanese, M Verstraete, JM Beuken, Y Pouillon, ...
Zeitschrift fur Kristallographie 220, 558-562, 2005
2046 * 2005 Critical thickness for ferroelectricity in perovskite ultrathin films J Junquera, P Ghosez
Nature 422 (6931), 506-509, 2003
1891 2003 Interface physics in complex oxide heterostructures P Zubko, S Gariglio, M Gabay, P Ghosez, JM Triscone
Annu. Rev. Condens. Matter Phys. 2 (1), 141-165, 2011
1268 2011 Improper ferroelectricity in perovskite oxide artificial superlattices E Bousquet, M Dawber, N Stucki, C Lichtensteiger, P Hermet, S Gariglio, ...
Nature 452 (7188), 732, 2008
1044 2008 Dynamical atomic charges: The case of P Ghosez, JP Michenaud, X Gonze
Physical Review B 58 (10), 6224, 1998
679 1998 The ABINIT project: Impact, environment and recent developments X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ...
Computer Physics Communications 248, 107042, 2020
596 2020 Lattice dynamics of BaTiO 3, PbTiO 3, and PbZrO 3: A comparative first-principles study P Ghosez, E Cockayne, UV Waghmare, KM Rabe
Physical Review B 60 (2), 836, 1999
552 1999 Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides DI Bilc, R Orlando, R Shaltaf, GM Rignanese, J Íñiguez, P Ghosez
Physical Review B—Condensed Matter and Materials Physics 77 (16), 165107, 2008
441 2008 Raman and infrared spectra of multiferroic bismuth ferrite from first principles P Hermet, M Goffinet, J Kreisel, P Ghosez
Physical Review B—Condensed Matter and Materials Physics 75 (22), 220102, 2007
407 2007 Ferroelectricity and Tetragonality in Ultrathin C Lichtensteiger, JM Triscone, J Junquera, P Ghosez
Physical review letters 94 (4), 047603, 2005
394 2005 Nonlinear optical susceptibilities, Raman efficiencies, and electro-optic tensors from first-principles density functional perturbation theory M Veithen, X Gonze, P Ghosez
Physical Review B—Condensed Matter and Materials Physics 71 (12), 125107, 2005
373 2005 Unusual Behavior of the Ferroelectric Polarization in M Dawber, C Lichtensteiger, M Cantoni, M Veithen, P Ghosez, K Johnston, ...
Physical review letters 95 (17), 177601, 2005
316 2005 A microscopic model of ferroelectricity in stress-free PbTiO3 ultrathin films P Ghosez, KM Rabe
Applied Physics Letters 76, 2767-2769, 2000
306 2000 Density-polarization functional theory of the response of a periodic insulating solid to an electric field X Gonze, P Ghosez, RW Godby
Physical review letters 74 (20), 4035, 1995
300 1995 Understanding ferroelectricity in layered perovskites: new ideas and insights from theory and experiments NA Benedek, JM Rondinelli, H Djani, P Ghosez, P Lightfoot
Dalton Transactions 44 (23), 10543-10558, 2015
291 2015 ABINIT : overview and focus on selected capabilities AH Romero, DC Allan, B Amadon, G Antonius, T Applencourt, L Baguet, ...
J. Chem. Phys. 152, 124102, 2020
265 2020 Spontaneous 2-Dimensional Carrier Confinement at the P Delugas, A Filippetti, V Fiorentini, DI Bilc, D Fontaine, P Ghosez
Physical review letters 106 (16), 166807, 2011
250 2011 Engineering Multiferroism in S Bhattacharjee, E Bousquet, P Ghosez
Physical review letters 102 (11), 117602, 2009
239 2009 