| 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 | 3747 | 2002 |
| A brief introduction to the ABINIT software package X Gonze Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 558-562, 2005 | 1293 | 2005 |
| Quantum confinement and fullerenelike surface reconstructions in nanodiamonds JY Raty, G Galli, C Bostedt, TW Van Buuren, LJ Terminello Physical review letters 90 (3), 037401, 2003 | 491 | 2003 |
| Growth of carbon nanotubes on metal nanoparticles: a microscopic mechanism from ab initio molecular dynamics simulations JY Raty, F Gygi, G Galli Physical review letters 95 (9), 096103, 2005 | 407 | 2005 |
| Incipient metals: functional materials with a unique bonding mechanism M Wuttig, VL Deringer, X Gonze, C Bichara, JY Raty Advanced Materials 30 (51), 1803777, 2018 | 345 | 2018 |
| Role of vacancies in metal–insulator transitions of crystalline phase-change materials W Zhang, A Thiess, P Zalden, R Zeller, PH Dederichs, JY Raty, M Wuttig, ... Nature materials 11 (11), 952-956, 2012 | 314 | 2012 |
| A quantum‐mechanical map for bonding and properties in solids JY Raty, M Schumacher, P Golub, VL Deringer, C Gatti, M Wuttig Advanced Materials 31 (3), 1806280, 2019 | 284 | 2019 |
| Phase-change materials for non-volatile memory devices: from technological challenges to materials science issues P Noé, C Vallée, F Hippert, F Fillot, JY Raty Semiconductor Science and Technology 33 (1), 013002, 2017 | 276 | 2017 |
| Aging mechanisms in amorphous phase-change materials JY Raty, W Zhang, J Luckas, C Chen, R Mazzarello, C Bichara, M Wuttig Nature communications 6 (1), 7467, 2015 | 265 | 2015 |
| Ultradispersity of diamond at the nanoscale JY Raty, G Galli Nature materials 2 (12), 792-795, 2003 | 211 | 2003 |
| Electronic and structural transitions in dense liquid sodium JY Raty, E Schwegler, SA Bonev Nature 449 (7161), 448-451, 2007 | 173 | 2007 |
| Understanding the Structure and Properties of Sesqui‐Chalcogenides (i.e., V2VI3 or Pn2Ch3 (Pn = Pnictogen, Ch = Chalcogen) Compounds) from a Bonding … Y Cheng, O Cojocaru‐Mirédin, J Keutgen, Y Yu, M Küpers, ... Advanced Materials 31 (43), 1904316, 2019 | 129 | 2019 |
| Calculation of optical absorption spectra of hydrogenated Si clusters: Bethe-Salpeter equation versus time-dependent local-density approximation LX Benedict, A Puzder, AJ Williamson, JC Grossman, G Galli, JE Klepeis, ... Physical Review B 68 (8), 085310, 2003 | 127 | 2003 |
| Toward ultimate nonvolatile resistive memories: The mechanism behind ovonic threshold switching revealed P Noé, A Verdy, F d’Acapito, JB Dory, M Bernard, G Navarro, JB Jager, ... Science advances 6 (9), eaay2830, 2020 | 114 | 2020 |
| Tetrahedral clustering in molten lithium under pressure I Tamblyn, JY Raty, SA Bonev Physical review letters 101 (7), 075703, 2008 | 106 | 2008 |
| Metavalent bonding in crystalline solids: how does it collapse? L Guarneri, S Jakobs, A von Hoegen, S Maier, M Xu, M Zhu, S Wahl, ... Advanced Materials 33 (39), 2102356, 2021 | 101 | 2021 |
| Understanding amorphous phase-change materials from the viewpoint of Maxwell rigidity M Micoulaut, JY Raty, C Otjacques, C Bichara Physical Review B—Condensed Matter and Materials Physics 81 (17), 174206, 2010 | 100 | 2010 |
| Evidence of a reentrant Peierls distortion in liquid GeTe JY Raty, V Godlevsky, P Ghosez, C Bichara, JP Gaspard, JR Chelikowsky Physical review letters 85 (9), 1950, 2000 | 96 | 2000 |
| Effect of carbon doping on the structure of amorphous GeTe phase change material GE Ghezzi, JY Raty, S Maitrejean, A Roule, E Elkaim, F Hippert Applied Physics Letters 99 (15), 2011 | 79 | 2011 |
| Dynamical, dielectric, and elastic properties of GeTe investigated with first-principles density functional theory R Shaltaf, E Durgun, JY Raty, P Ghosez, X Gonze Physical Review B—Condensed Matter and Materials Physics 78 (20), 205203, 2008 | 79 | 2008 |
