| The SIESTA method for ab initio order-N materials simulation JM Soler, E Artacho, JD Gale, A García, J Junquera, P Ordejón, ... Journal of Physics: Condensed Matter 14 (11), 2745, 2002 | 14186 | 2002 |
| Critical thickness for ferroelectricity in perovskite ultrathin films J Junquera, P Ghosez Nature 422 (6931), 506-509, 2003 | 1891 | 2003 |
| Numerical atomic orbitals for linear-scaling calculations J Junquera, Ó Paz, D Sánchez-Portal, E Artacho Physical Review B 64 (23), 235111, 2001 | 1315 | 2001 |
| 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 |
| Observation of room-temperature polar skyrmions S Das, YL Tang, Z Hong, MAP Gonçalves, MR McCarter, C Klewe, ... Nature 568 (7752), 368-372, 2019 | 619 | 2019 |
| Ferroelectricity and Tetragonality in Ultrathin Films C Lichtensteiger, JM Triscone, J Junquera, P Ghosez Physical review letters 94 (4), 047603, 2005 | 394 | 2005 |
| Siesta: Recent developments and applications A García, N Papior, A Akhtar, E Artacho, V Blum, E Bosoni, P Brandimarte, ... The Journal of chemical physics 152 (20), 2020 | 387 | 2020 |
| Systematic generation of finite-range atomic basis sets for linear-scaling calculations E Anglada, JM Soler, J Junquera, E Artacho Physical Review B 66 (20), 205101, 2002 | 360 | 2002 |
| Spatially resolved steady-state negative capacitance AK Yadav, KX Nguyen, Z Hong, P García-Fernández, P Aguado-Puente, ... Nature 565 (7740), 468-471, 2019 | 344 | 2019 |
| Stiff monatomic gold wires with a spinning zigzag geometry D Sánchez-Portal, E Artacho, J Junquera, P Ordejón, A García, JM Soler Physical review letters 83 (19), 3884, 1999 | 316 | 1999 |
| Phase coexistence and electric-field control of toroidal order in oxide superlattices AR Damodaran, JD Clarkson, Z Hong, H Liu, AK Yadav, CT Nelson, ... Nature materials 16 (10), 1003-1009, 2017 | 208 | 2017 |
| Do thiols merely passivate gold nanoclusters? IL Garzón, C Rovira, K Michaelian, MR Beltrán, P Ordejón, J Junquera, ... Physical Review Letters 85 (24), 5250, 2000 | 187 | 2000 |
| Emergent chirality in the electric polarization texture of titanate superlattices P Shafer, P García-Fernández, P Aguado-Puente, AR Damodaran, ... Proceedings of the National Academy of Sciences 115 (5), 915-920, 2018 | 173 | 2018 |
| First-principles calculation of the band offset at and interfaces J Junquera, M Zimmer, P Ordejón, P Ghosez Physical Review B 67 (15), 155327, 2003 | 170 | 2003 |
| Band alignment at metal/ferroelectric interfaces: Insights and artifacts from first principles M Stengel, P Aguado-Puente, NA Spaldin, J Junquera Physical Review B—Condensed Matter and Materials Physics 83 (23), 235112, 2011 | 156 | 2011 |
| Finite-size effects in BaTiO3 nanowires G Geneste, E Bousquet, J Junquera, P Ghosez Applied Physics Letters 88 (11), 2006 | 156 | 2006 |
| Ferromagneticlike Closure Domains in Ferroelectric Ultrathin Films:<? format?> First-Principles Simulations P Aguado-Puente, J Junquera Physical review letters 100 (17), 177601, 2008 | 147 | 2008 |
| Electrostatic coupling and local structural distortions at interfaces in ferroelectric/paraelectric superlattices P Zubko, N Jecklin, A Torres-Pardo, P Aguado-Puente, A Gloter, ... Nano letters 12 (6), 2846-2851, 2012 | 145 | 2012 |
| Local negative permittivity and topological phase transition in polar skyrmions S Das, Z Hong, VA Stoica, MAP Gonçalves, YT Shao, E Parsonnet, ... Nature materials 20 (2), 194-201, 2021 | 144 | 2021 |
| Scaling of structure and electrical properties in ultrathin epitaxial ferroelectric heterostructures V Nagarajan, J Junquera, JQ He, CL Jia, R Waser, K Lee, YK Kim, S Baik, ... Journal of applied physics 100 (5), 2006 | 142 | 2006 |