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
14176 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
792 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 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
386 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
315 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 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