QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...
Journal of physics: Condensed matter 21 (39), 395502, 2009
29054 2009 Advanced capabilities for materials modelling with Quantum ESPRESSO P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
7306 2017 Magnetic tunnel junctions with ferroelectric barriers: prediction of four resistance states from first principles JP Velev, CG Duan, JD Burton, A Smogunov, MK Niranjan, E Tosatti, ...
Nano letters 9 (1), 427-432, 2009
372 2009 Ballistic conductance of magnetic Co and Ni nanowires with ultrasoft pseudopotentials A Smogunov, A Dal Corso, E Tosatti
Physical Review B—Condensed Matter and Materials Physics 70 (4), 045417, 2004
238 2004 Molecular-scale dynamics of light-induced spin cross-over in a two-dimensional layer K Bairagi, O Iasco, A Bellec, A Kartsev, D Li, J Lagoute, C Chacon, ...
Nature communications 7 (1), 12212, 2016
144 2016 Tuning the magnetic anisotropy at a molecule-metal interface K Bairagi, A Bellec, V Repain, C Chacon, Y Girard, Y Garreau, J Lagoute, ...
Physical review letters 114 (24), 247203, 2015
137 2015 Large magnetoresistance through a single molecule due to a spin-split hybridized orbital SL Kawahara, J Lagoute, V Repain, C Chacon, Y Girard, S Rousset, ...
Nano letters 12 (9), 4558-4563, 2012
120 2012 Colossal magnetic anisotropy of monatomic free and deposited platinum nanowires A Smogunov, A Dal Corso, A Delin, R Weht, E Tosatti
Nature Nanotechnology 3 (1), 22-25, 2008
116 2008 Kondo conductance in an atomic nanocontact from first principles P Lucignano, R Mazzarello, A Smogunov, M Fabrizio, E Tosatti
Nature materials 8 (7), 563-567, 2009
92 2009 Out-versus in-plane magnetic anisotropy of free Fe and Co nanocrystals: Tight-binding and first-principles studies D Li, C Barreteau, MR Castell, F Silly, A Smogunov
Physical Review B 90 (20), 205409, 2014
79 2014 Nonmagnetic single-molecule spin-filter based on quantum interference AN Pal, D Li, S Sarkar, S Chakrabarti, A Vilan, L Kronik, A Smogunov, ...
Nature communications 10 (1), 5565, 2019
68 2019 Metallic, magnetic and molecular nanocontacts R Requist, PP Baruselli, A Smogunov, M Fabrizio, S Modesti, E Tosatti
Nature nanotechnology 11 (6), 499-508, 2016
60 2016 Magnetic phenomena, spin-orbit effects, and Landauer conductance in Pt nanowire contacts: Density-functional theory calculations A Smogunov, A Dal Corso, E Tosatti
Physical Review B—Condensed Matter and Materials Physics 78 (1), 014423, 2008
59 2008 Magnetocrystalline anisotropy energy of D Li, A Smogunov, C Barreteau, F Ducastelle, D Spanjaard
Physical Review B 88 (21), 214413, 2013
50 2013 Ballistic conductance and magnetism in short tip suspended Ni nanowires A Smogunov, A Dal Corso, E Tosatti
Physical Review B—Condensed Matter and Materials Physics 73 (7), 075418, 2006
50 2006 Complex band structures and decay length in polyethylene chains F Picaud, A Smogunov, A Dal Corso, E Tosatti
Journal of Physics: Condensed Matter 15 (22), 3731, 2003
49 2003 Symmetry-derived half-metallicity in atomic and molecular junctions A Smogunov, YJ Dappe
Nano letters 15 (5), 3552-3556, 2015
46 2015 Kondo conductance across the smallest spin 1/2 radical molecule R Requist, S Modesti, PP Baruselli, A Smogunov, M Fabrizio, E Tosatti
Proceedings of the National Academy of Sciences 111 (1), 69-74, 2014
44 2014 Importance of epitaxial strain at a spin-crossover molecule–metal interface C Fourmental, S Mondal, R Banerjee, A Bellec, Y Garreau, A Coati, ...
The Journal of Physical Chemistry Letters 10 (14), 4103-4109, 2019
43 2019 Shot noise and magnetism of Pt atomic chains: Accumulation of points at the boundary M Kumar, O Tal, RHM Smit, A Smogunov, E Tosatti, JM van Ruitenbeek
Physical Review B 88 (24), 245431, 2013
43 2013