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 | 3722 | 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 | 3016 | 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 | 2037* | 2005 |
Critical thickness for ferroelectricity in perovskite ultrathin films J Junquera, P Ghosez Nature 422 (6931), 506-509, 2003 | 1870 | 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 | 1259 | 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 | 1032 | 2008 |
Dynamical atomic charges: The case of compounds P Ghosez, JP Michenaud, X Gonze Physical Review B 58 (10), 6224, 1998 | 669 | 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 | 563 | 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 | 546 | 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 | 438 | 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 | 404 | 2007 |
Ferroelectricity and Tetragonality in Ultrathin Films C Lichtensteiger, JM Triscone, J Junquera, P Ghosez Physical review letters 94 (4), 047603, 2005 | 392 | 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 | 371 | 2005 |
Unusual Behavior of the Ferroelectric Polarization in Superlattices M Dawber, C Lichtensteiger, M Cantoni, M Veithen, P Ghosez, K Johnston, ... Physical review letters 95 (17), 177601, 2005 | 315 | 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 | 299 | 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 | 284 | 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 | 254 | 2020 |
Spontaneous 2-Dimensional Carrier Confinement at the -Type Interface P Delugas, A Filippetti, V Fiorentini, DI Bilc, D Fontaine, P Ghosez Physical review letters 106 (16), 166807, 2011 | 249 | 2011 |
Engineering Multiferroism in S Bhattacharjee, E Bousquet, P Ghosez Physical review letters 102 (11), 117602, 2009 | 236 | 2009 |