| The SIESTA method; developments and applicability E Artacho, E Anglada, O Diéguez, JD Gale, A García, J Junquera, ... Journal of Physics: Condensed Matter 20 (6), 064208, 2008 | 794 | 2008 |
| First-principles study of epitaxial strain in perovskites O Diéguez, KM Rabe, D Vanderbilt Physical Review B—Condensed Matter and Materials Physics 72 (14), 144101, 2005 | 342 | 2005 |
| First-principles predictions of low-energy phases of multiferroic BiFeO O Diéguez, OE González-Vázquez, JC Wojdeł, J Íñiguez Physical Review B—Condensed Matter and Materials Physics 83 (9), 094105, 2011 | 288 | 2011 |
| Ab initio study of the phase diagram of epitaxial O Diéguez, S Tinte, A Antons, C Bungaro, JB Neaton, KM Rabe, ... Physical Review B—Condensed Matter and Materials Physics 69 (21), 212101, 2004 | 261 | 2004 |
| Density-functional calculations of the structures, binding energies, and magnetic moments of Fe clusters with 2 to 17 atoms O Diéguez, MMG Alemany, C Rey, P Ordejón, LJ Gallego Physical Review B 63 (20), 205407, 2001 | 253 | 2001 |
| Giant polarization in super-tetragonal thin films through interphase strain L Zhang, J Chen, L Fan, O Diéguez, J Cao, Z Pan, Y Wang, J Wang, ... Science 361 (6401), 494-497, 2018 | 227 | 2018 |
| Nonorthogonal generalized Wannier function pseudopotential plane-wave method CK Skylaris, AA Mostofi, PD Haynes, O Diéguez, MC Payne Physical Review B 66 (3), 035119, 2002 | 219 | 2002 |
| Multiferroic Phase Transition near Room Temperature in Films IC Infante, J Juraszek, S Fusil, B Dupé, P Gemeiner, O Diéguez, ... Physical Review Letters 107 (23), 237601, 2011 | 115 | 2011 |
| Domain walls in a perovskite oxide with two primary structural order parameters: First-principles study of BiFeO O Diéguez, P Aguado-Puente, J Junquera, J Íniguez Physical Review B—Condensed Matter and Materials Physics 87 (2), 024102, 2013 | 98 | 2013 |
| First-Principles Investigation of Morphotropic Transitions and Phase-Change Functional Responses in Multiferroic Solid Solutions O Diéguez, J Íñiguez Physical review letters 107 (5), 057601, 2011 | 95 | 2011 |
| Ferroelectric Domains in Multiferroic Films under Epitaxial Strains W Ren, Y Yang, O Diéguez, J Íniguez, N Choudhury, L Bellaiche Physical review letters 110 (18), 187601, 2013 | 76 | 2013 |
| Molecular-dynamics study of the dynamic properties of fcc transition and simple metals in the liquid phase using the second-moment approximation to the tight-binding method MMG Alemany, O Diéguez, C Rey, LJ Gallego Physical Review B 60 (13), 9208, 1999 | 73 | 1999 |
| First-principles investigation of the structural phases and enhanced response properties of the BiFeO-LaFeO multiferroic solid solution OE González-Vázquez, JC Wojdeł, O Diéguez, J Íñiguez Physical Review B—Condensed Matter and Materials Physics 85 (6), 064119, 2012 | 69 | 2012 |
| Wannier-based definition of layer polarizations in perovskite superlattices X Wu, O Diéguez, KM Rabe, D Vanderbilt Physical review letters 97 (10), 107602, 2006 | 66 | 2006 |
| First-principles calculations for insulators at constant polarization O Diéguez, D Vanderbilt Physical review letters 96 (5), 056401, 2006 | 56 | 2006 |
| Ferroelectricity in layered bismuth oxide down to 1 nanometer Q Yang, J Hu, YW Fang, Y Jia, R Yang, S Deng, Y Lu, O Dieguez, L Fan, ... Science 379 (6638), 1218-1224, 2023 | 55 | 2023 |
| Strain engineering magnetic frustration in perovskite oxide thin films C Escorihuela-Sayalero, O Diéguez, J Íñiguez Physical Review Letters 109 (24), 247202, 2012 | 52 | 2012 |
| Multiple structural transitions driven by spin-phonon couplings in a perovskite oxide C Cazorla, O Diéguez, J Íñiguez Science advances 3 (6), e1700288, 2017 | 46 | 2017 |
| Comparison of variational real-space representations of the kinetic energy operator CK Skylaris, O Diéguez, PD Haynes, MC Payne Physical Review B 66 (7), 073103, 2002 | 36 | 2002 |
| Ab initio density-functional calculations of the geometries, electronic structures, and magnetic moments of Ni-C clusters C Rey, MMG Alemany, O Diéguez, LJ Gallego Physical Review B 62 (19), 12640, 2000 | 34 | 2000 |
David VanderbiltProfessor of Physics and Astronomy, Rutgers UniversityVerified email at physics.rutgers.edu
