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Andres Ayuela
Andres Ayuela
Senior Research Scientist, Centro de Física de Materiales-MPC CSIC-UPV/EHU, Donostia International
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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
5612003
Structural properties of magnetic Heusler alloys
A Ayuela, J Enkovaara, K Ullakko, RM Nieminen
Journal of Physics: Condensed Matter 11 (8), 2017, 1999
3651999
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
2882010
Coexistence of ferromagnetic and antiferromagnetic order in Mn-doped
J Enkovaara, O Heczko, A Ayuela, RM Nieminen
Physical Review B 67 (21), 212405, 2003
2822003
Elastic properties of the main species present in Portland cement pastes
H Manzano, JS Dolado, A Ayuela
Acta materialia 57 (5), 1666-1674, 2009
2722009
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
2322010
Ab initio study of tetragonal variants in Ni2MnGa alloy
A Ayuela, J Enkovaara, RM Nieminen
Journal of Physics: Condensed Matter 14 (21), 5325, 2002
2112002
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
1572013
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
1552007
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
1502004
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
1342003
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
1312004
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
1272012
Magnetic anisotropy in Ni 2 MnGa
J Enkovaara, A Ayuela, L Nordström, RM Nieminen
Physical Review B 65 (13), 134422, 2002
1242002
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
1181996
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
1162012
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
1142002
Belite cements and their activation
A Cuesta, A Ayuela, MAG Aranda
Cement and Concrete Research 140, 106319, 2021
1092021
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
1082008
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
1021993
Il sistema al momento non puň eseguire l'operazione. Riprova piů tardi.
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