Magnetic properties and diffusion of adatoms on a graphene sheet PO Lehtinen, AS Foster, A Ayuela, A Krasheninnikov, K Nordlund, ... Physical review letters 91 (1), 017202, 2003 | 566 | 2003 |
Structural properties of magnetic Heusler alloys A Ayuela, J Enkovaara, K Ullakko, RM Nieminen Journal of Physics: Condensed Matter 11 (8), 2017, 1999 | 366 | 1999 |
First-principles study of substitutional metal impurities in graphene: structural, electronic and magnetic properties EJG Santos, A Ayuela, D Sánchez-Portal New Journal of Physics 12 (5), 053012, 2010 | 288 | 2010 |
Coexistence of ferromagnetic and antiferromagnetic order in Mn-doped J Enkovaara, O Heczko, A Ayuela, RM Nieminen Physical Review B 67 (21), 212405, 2003 | 282 | 2003 |
Elastic properties of the main species present in Portland cement pastes H Manzano, JS Dolado, A Ayuela Acta materialia 57 (5), 1666-1674, 2009 | 274 | 2009 |
Magnetism of substitutional Co impurities in graphene: Realization of single vacancies EJG Santos, D Sánchez-Portal, A Ayuela Physical Review B 81 (12), 125433, 2010 | 232 | 2010 |
Ab initio study of tetragonal variants in Ni2MnGa alloy A Ayuela, J Enkovaara, RM Nieminen Journal of Physics: Condensed Matter 14 (21), 5325, 2002 | 211 | 2002 |
Structure, atomistic simulations, and phase transition of stoichiometric yeelimite A Cuesta, AG De la Torre, ER Losilla, VK Peterson, P Rejmak, A Ayuela, ... Chemistry of Materials 25 (9), 1680-1687, 2013 | 160 | 2013 |
Mechanical properties of crystalline calcium‐silicate‐hydrates: comparison with cementitious C‐S‐H gels H Manzano, JS Dolado, A Guerrero, A Ayuela physica status solidi (a) 204 (6), 1775-1780, 2007 | 155 | 2007 |
Adsorption and migration of carbon adatoms on carbon nanotubes: Density-functional ab initio and tight-binding studies AV Krasheninnikov, K Nordlund, PO Lehtinen, AS Foster, A Ayuela, ... Physical Review B 69 (7), 073402, 2004 | 150 | 2004 |
First-principles investigation of phonon softenings and lattice instabilities in the shape-memory system Ni 2 MnGa AT Zayak, P Entel, J Enkovaara, A Ayuela, RM Nieminen Physical Review B 68 (13), 132402, 2003 | 134 | 2003 |
Magnetically driven shape memory alloys J Enkovaara, A Ayuela, AT Zayak, P Entel, L Nordström, M Dube, ... Materials Science and Engineering: A 378 (1-2), 52-60, 2004 | 131 | 2004 |
Universal magnetic properties of sp3-type defects in covalently functionalized graphene EJG Santos, A Ayuela, D Sánchez-Portal New Journal of Physics 14 (4), 043022, 2012 | 127 | 2012 |
Magnetic anisotropy in Ni 2 MnGa J Enkovaara, A Ayuela, L Nordström, RM Nieminen Physical Review B 65 (13), 134422, 2002 | 124 | 2002 |
29Si NMR in Cement: A Theoretical Study on Calcium Silicate Hydrates P Rejmak, JS Dolado, MJ Stott, A Ayuela The Journal of Physical Chemistry C 116 (17), 9755-9761, 2012 | 118 | 2012 |
C62: theoretical evidence for a nonclassical fullerene with a heptagonal ring A Ayuela, PW Fowler, D Mitchell, R Schmidt, G Seifert, F Zerbetto The Journal of Physical Chemistry 100 (39), 15634-15636, 1996 | 118 | 1996 |
Belite cements and their activation A Cuesta, A Ayuela, MAG Aranda Cement and Concrete Research 140, 106319, 2021 | 117 | 2021 |
First-principles investigations of homogeneous lattice-distortive strain and shuffles in Ni2MnGa AT Zayak, P Entel, J Enkovaara, A Ayuela, RM Nieminen Journal of Physics: Condensed Matter 15 (2), 159, 2002 | 114 | 2002 |
Switching on magnetism in Ni-doped graphene: Density functional calculations EJG Santos, A Ayuela, SB Fagan, J Mendes Filho, DL Azevedo, ... Physical Review B 78 (19), 195420, 2008 | 108 | 2008 |
Molecular orbital calculations on (MgO)n and (MgO)n+ clusters (n=1–13) JM Recio, R Pandey, A Ayuela, AB Kunz The Journal of chemical physics 98 (6), 4783-4792, 1993 | 103 | 1993 |