dr andres ayuela fernandez

Senior Research Scientist Dr. Andrés Ayuela

Centro de Física de Materiales (CFM-MPC). Centro Mixto CSIC-UPV/EHUPaseo Manuel de Lardizabal, nº 520018 Donostia/San Sebastian. Tlfno: 943 018416Fax: 943 015600E-mail: [email protected]

Research Lines

Nanostructures; Nanotubes; Graphene; Nanowires; Multilayers; Sol-gel-processes; Cements; Silicates;

Magnetic-shape-memory alloys (MSM);

Density-functional-theory(DFT); Spin-orbit; Non-collinear magnetism; Domain-wall; Ising model

_________________________________________________________________________________________

People_____________

PostDoc Dr. Nestor Ferrando2012- 2014_____________PostDoc Dr. Pawel Rejmak 2010- 2014_____________Polytopes of Calcium-Silicate-HydratesPhD S. Wellamarthodique2011-2014

Previous Ph Thesis _______________First-principles study of the electronic and magnetic properties of defective graphene Elton Jose Gomes Santos Universidad del Pais Vasco UPV/EHU Faculty of chemistry Octuber 2011.Sobresaliente cum laude. Tesis europea. 2011_______________On doped semiconductors quantum dots and magnetic nanowires C. Echeverria-ArrondoUniversidad Publica de NavarraLaboratory of Physics. June 2010.Sobresaliente cum laude__________________ Atomistic Simulation of Cement Materials Hegoi Manzano Universidad de País Vasco Facultad de Químicas Octubre 2009. Sobresaliente cum laude. Tesis europea.______________ Atomistic Simulation of Magnetic Shape Memory Alloys. J. Enkovaara. Helsinki University of Technology.Laboratory of Physics.February 2003. 4 with honors. Maxima calificación (solo un 15 % los obtienen)_________________________________________________________________________________________

Other previous students. Master thesis, “tesinas” and projects________________

Electronic and Magnetic Properties of Subtituional 3d Transition Metals in Graphenic Systems. E.G.J. dos Santos Universidad del Pais VascoDepartamento de Fisica de Materiales Master: July 2008.

____________DEAS: Y. Sánchez-Paisal (Octubre 2008)

____________ TESINAS (“Master and diploma thesis”): - A. Aguado. Diploma Thesis. Theoretical study of (NaI)_n clusters. 1995

- J. Enkovaara. Master thesis. Giant an colossal magnetoresistance: Interlayer coupling in Co/Si. 1999. - H. Raebiger. Master thesis. First principle study of diluted magnetic semiconductors: the role of clustering on the ferromagnetic coupling in (Ga,Mn)As. August, 2002. Projects in the HELSINKI UNIVERSITY OF TECHNOLOGY

1-2. J. Enkovaara.(2) Assigment Student. Electronic and magnetic structure of Fe_2CoGa in L2_1 lattice. Summer 1997. First Principles calculations of Heusler alloys Ni_2MnAl, Ni_2MnSn and Ni_2CoGa. 1997-1998.3.. H. Raebiger (1). Assigment Student. Study of free Al wire and supported Al wire on NaCl surface. 1998-1999.4. J. Imppola (1). Assigment Student. Atomic exchange process in Ni-Mn-Ga alloys. Summer 2001,2003.5. J. Jalkaanen (1). Assigment Student. Spin-spiral in Ni-Mn-Ga alloys; study with tetragonality. Summer 2001-2003.6. S. Jaatinen (1). Assigment Student. Numerical solutions of Ginzburg-Landau equations in a superconductor-ferromagnet interface. Summer, 2001.7. N. Kovalainen (1). Assigment Student. Transport theories. Summer, 2001. 8. H. Raebiger (1). Assigment Student. Semiconductor Spintronics: New materials and aplications. Summer 2002.___________________________________________________________________________

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Publications

Authors: H Manzano, A. N. Enyashin, J.S. Dolado, A. Ayuela, J. Frenzel, and G. SeifertTitle: Do Cement Nanotubes Exists?

Ref. x journal: Advanced MaterialsKey: Article Volume: Pages: Year: 2012_________________________________________________________________________________________Authors: Santos, E J G, Sanchez-Portal D, Ayuela ATitle: Strain-Tunable Spin Moment in Ni-Doped Graphene

Ref. x journal: J. Phys. Chem. CKey: Article Volume: 116 Pages: 1174Year: 2012_________________________________________________________________________________________

Authors: A. Hernando, P Crespo, M A García, M Coey, A Ayuela and P M Echenique,Title: Revisiting magnetism of capped Au and ZnO nanoparticles: Surface band structure

and atomic orbital with giant magnetic moment

Ref. x journal: Phys. Stat. Sol. BKey: Article Volume: 248 Pages: 2352Year: 2011

Authors: A Ayuela, P Crespo, M A García, A Hernando and P M Echenique,Title: sp magnetism in clusters of gold thiolates.

Ref. x journal: New J. Phys.Key: Article Volume: 14 Pages: 013064Year: 2012

Authors: Santos, E J G, Sanchez-Portal D, Ayuela A,Title: Magnetism of covalently functionalized carbon nanotubes

Ref. x journal: App. Phys. Lett.Key: Article Volume: 99 Pages: 062503Year: 2011_________________________________________________________________________________________Authors: Jasjolski, W.; Ayuela, A; Santos, H; Pelc, M; Chico, L Title: Edge states and flat bands in grapheme nanoribbons with arbitrary geometries

Ref. x journal: Phys. Rev. BKey: Article Volume: 83 Pages: 235424Year: 2011_________________________________________________________________________________________Authors: Echeverria-Arrondo, C; Perez-Conde, J; Ayuela, ATitle: Antiferromagnetic order in (Ga,Mn)N nanocrystals: A density functional theory study

Ref. x journal: Phys Rev BKey: Article Volume: 82 Pages: 205419

Year: 2010_________________________________________________________________________________________Authors: Ayuela, A; March, NHTitle: The Magnetic Moments and Their Long-Range Ordering for Fe Atoms in a Wide Variety of Metallic Enviroments

Ref. x journal: Int J Quan ChemKey: Article Volume: 15 Pages: 2725Year: 2010_________________________________________________________________________________________Authors: Chico, L; Santos, H; Ayuela, A, Pelc, M; Jasjolski, W.Title: Unzipped and Defective Nanotubes: Rolling up Graphene and Unrolling Tubes

Ref. x journal: Acta Physics Polonica AKey: Article Volume: 118 Pages: 433Year: 2010_________________________________________________________________________________________Authors: Manzano, H; Gonzalez-Teresa, R; Dolado, JS,; A. AyuelaTitle: X-ray spectra and theoretical elastic properties of crystalline calcium silicate hydrates: comparison with cement hydrated gels

Ref. x journal: Materiales de ConstrucciónKey: Article Volume: 60 Pages: 7Year: 2010_________________________________________________________________________________________Authors: Santos, E J G, Ayuela, A, Sanchez-Portal, DTitle: Magnetism of substitutional Co impurities in graphene: Realization of single pi vacancies

Ref. x journal: New J PhysKey: Article Volume: 12 Pages: 053012Year: 2010_________________________________________________________________________________________Authors: Jaskolski, W.,Pelc, M.,Santos, H, Chico, L., Ayuela, ATitle: Interface bands in carbon nanotube superlattices

Ref. x journal: Phys. Status Solidi CKey: Article Volume:7 Pages: 382Year: 2010_________________________________________________________________________________________Authors: Santos, E J G, Sanchez-Portal, D, Ayuela, ATitle: Magnetism of substitutional Co impurities in graphene: Realization of single pi vacancies

Ref. x journal: Phys. Rev. BKey: Article Volume:81 Pages: 125433Year: 2010_________________________________________________________________________________________Authors: Santos, H, Ayuela, A, Jaskolski, W., Pelc, M., Chico, L.Title: Interface states in carbon nanotube junctions: Rolling up grapheme

Ref. x journal: Phys. Rev. BKey: Article Volume:80 Pages: 035436Year: 2009_________________________________________________________________________________________

Authors:Y. Sánchez-Paisal, D. Sánchez-Portal, and A. Ayuela

Title: Ab initio calculations of zirconium adsorption and diffusion on graphene

Ref. x journal: Phys. Rev. BKey: Article Volume: 80 Pages: 045428 Year: 2009

Authors: C. Echeverría-Arrondo, J. Pérez-Conde, A.AyuelaTitle: Optical spin control in nanocrystalline magnetic nanoswitches

Ref. x journal: App. Phys. LettKey: Article Volume: 95 Pages: 043111 Year: 2009

Authors: H. Manzano, J.S. Dolado, A. AyuelaTitle: Structural, Mechanical and Reactivity Properties of Tricalcium Aluminate Using First-principles Calculations

Ref. x journal: J. Am. Cer. Soc.Key: Article Volume:92 Pages: 897-902Year: 2009

Authors: C. Echeverría-Arrondo, J. Pérez-Conde, A.AyuelaTitle: On Magnetic Properties of (Cd,Mn)Te Nanocrystals


Authors: H. Manzano, J.S. Dolado, A. AyuelaTitle: Elastic Properties of the Main Species Present in the Portland Cement Paste

Ref. x journal: Acta MaterialiaKey: Article Volume:57 Pages:1666 Year: 2009

Authors: H. Manzano, J.S. Dolado, A. AyuelaTitle: Alumnium Incorporation to Dreierketten Silicate Chains

Ref. x journal: J. Phys. Chem. BKey: Article Volume: 113 Pages: 2832 Year: 2009

Authors: E.J.G. Santos, A. Ayuela, S.B. Fagan, J. Mendes, D.L. Azevedo, A. G. Souza, D. Sanchez-PortalTitle: Switching on magnetism in Ni-Doped graphene: Density functional calculations


Authors: Chico, L., Ayuela, A., Pelc, M.,Santos, H.,Jaskolski, W.Title: Friedel Oscillations in Carbon Nanotube Quantum Dots and Superlattices

Ref. x journal: Acta Physica Polonica AKey: Article Volume:114 Pages: 1085-1091Year: 2008

Authors: Ayuela, A., Jaskolski, W., Pelc, M., Santos, H., Chico, L.Title: Friedel-like oscillations in carbon nanotube quantum dots

Ref. x journal: App. Phys. Lett.Key: Article Volume:93 Pages: 133106Year: 2008

Authors: Ayuela A, March NHTitle:

Ref. x journal: Phys. Lett. AKey: Article Volume:372 Pages: 5617-5620Year: 2008

Authors: A. Ayuela and N.H. March Title: Curie temperatura of metallic ferromagnets Gd and Ni as a function of number of layers compared and contrasted

Ref. x journal: Phase TransitionsKey: Article Volume:81 Pages:387-394 Year: (2008).

Authors:Y. Sánchez-Paisal,D. Sánchez-Portal, N. Garmendia, R. Muñoz, I. Obieta, J. Arbiol, L. Calvo-Barrio, and A. Ayuela Title: Zr-metal adhesión on graphenic nanostructures

Ref. x journal: App. Phys. Lett.Key: Article Volume:93 Pages: 053101 Year: (2008).

Authors: A. Mañanes, F. Duque, A. Ayuela, M.J. López, and J.A. Alonso Title: Half-metallic finite zigzag single-walled carbon nanotubes from first principles

Ref. x journal: Phys. Rev. BKey: Article Volume:78 Pages:035432 Year: (2008).

Authors: A. Ayuela, L. Chico, and W. JaskólskiTitle: Electronic band structure of carbon nanotube superlattices from first-prinicples calculations

Ref. x journal: Phys. Rev. BKey: Article Volume:77 Pages:085435 Year: (2008).

Authors: A. Ayuela, E. Ogando, and N. ZabalaTitle: Quantum size effects of Pb overlayers at high coverages

Ref. x journal: Appl. Surf. Scie.Key: Article Volume:254 Pages: 29-31 Year: (2007).

Authors: A. Ayuela, J. S. Dolado, I. Campillo, Y. R. de Miguel, E. Erkizia, D. Sanchez-Portal, A. Rubio, A. Porro, P. M. EcheniqueTitle: Silicate chain formation in the nanostructure of cement-based materials

Ref. x journal: J. Chem. Phys.Key: Article Volume: 127 Pages: 164710Year: (2007).

Authors: A. Ayuela, N.H. March, and D.J. KleinTitle: Optimized geometry of the cluster Gd2O3 and proposed antiferromagnetic alignment of f-electron magnetic moment Ref. x journal: J. Phys. Chem. AKey: Article Volume: 111 Pages: 10162-10165Year: (2007).___________________________________________________________________________________________________

Authors: H. Manzano, J. S. Dolado, A Guerrero, and A. AyuelaTitle: Mechanical properties of crystalline calcium-silicate-hydrates: comparison with cementitious C-S-H gels

Ref. x journal: Phys. Stat. Sol. A Key: Article Volume:204 Pages: 1775Year: (2007).

Authors: A. Ayuela, E. Ogando, and N. ZabalaTitle: Restored quantum size effects of Pb overlayers at high coverages Ref. x journal: Phys. Rev. B Key: Article Volume: 75 Pages: 153403Year: (2007).

Authors: Manzano H, Ayuela A, Dolado JSTitle: On the formation of cementitious C-S-H nanoparticles

Ref. x journal: J. Computational-Aided Materials DesignKey: Article Volume: 14 Pages: 45Year: (2007).

Authors: Ayuela A, Klein DJ, March NHTitle: Sublattice magnetizations in non-zero magnetic field in an antiferromagnetic infinite-range Ising model

Ref. x journal: Phys. Lett. A Key: Article Volume: 362 Pages: 468Year: (2007).

Authors: H. Raebiger, T. Hynninen, A. Ayuela, and J. von Boehm Title: Effects of Mn Clustering on ferromagnetism in (Ga,Mn)As

Ref. x journal: Physica BKey: Article Volume: 376 Pages: 643Year: (2006).

Authors: T. Hynninen, H. Raebiger, J. von Boehm and A. Ayuela, Title: High Curie temperatures in (Ga,Mn)N from clustering.

Ref. x journal: Appl. Phys. Lett. Key: Article Volume: 88 Pages: 122501Year: (2006).

Authors: A. Ayuela, D.J. Klein, and N.H. MarchTitle: Sublattice magnetizations in non-zero magnetic field in an antiferromagnetic infinite-range Ising model

Ref. x journal: Phys. Lett. AKey: Article Volume: in press Pages: Year: (2005).

Authors: A. Ayuela, M.J. Puska, R.M. Nieminen, and J.A. AlonsoTitle: Charging mechanism for the bond elongation observed in suspended chains of gold atoms .

Ref. x journal: Phys. Rev. B. (Rapid)Key: Article Volume: 72 Pages: 161403(R)Year: (2005).

Authors: S. Riikonen, A. Ayuela, and D. Sánchez-Portal.Title: Metal-insulator transition in the In/Si(111) surface.

Ref. x journal: Surf. Sci. Key: Article Volume:600 Pages: 3821 Year: (2006).

Authors: H. Raebiger, A. Ayuela, and J. von Boehm.Title: Electronic and magnetic properties of substitutional Mn Clusters in (Ga,Mn)As.

Ref. x journal: Phys. Rev. B

Key: Article Volume: 72 Pages: 014465 Year: (2005).

Authors: H. Raebiger, A. Ayuela, J. von Boehm, and R.M. Nieminen.Title: Clustering of Mn in (Ga,Mn)As.

Ref. x journal: J. Mag. Mag. Mat. Key: Article Volume: 291 Pages: 1398 Year: (2004).

Authors: Anirban Misra, Andrés Ayuela, D.J. Klein, and N.H. March.Title: Magnetically ordered materials: relation between internal energy, magnetization

and applied field.

Ref. x journal: Phys. Lett. A Key: Article Volume: 329, Pages: 396 - 401 Year: (2004).

Authors: Anirban Misra, Andrés Ayuela, D.J. Klein, and N.H. March.Title: Magnetically ordered materials: relation between internal energy, magnetization

and applied field.

Ref. x journal: Phys. Lett. A Key: Article Volume: 329, Pages: 396 - 401 Year: (2004).

Authors: H. Raebiger, A. Ayuela, and R.M. Nieminen, Title: Intrinsic hole localization mechanism in magnetic semiconductors.

Ref. x journal: J. Phys.: Condens. Matter. (letter)Key: Article Volume: 16, Pages: L457Year: (2004).

Authors: A.V. Krasheninnikov, K. Nordlund, P. Lehtinen, A. Foster, A. Ayuela, and R.M. Nieminen.

Title: Adsorption and migration of carbon adatoms on zigzag carbon nanotubes.

Ref. x journal: Carbon Key: Article Volume: 42 , Pages: 1021 - 1025 Year: (2004).

Authors: P.O. Lehtinen, A.S. Foster, A. Ayuela, T.T. Vehvilinen and R.M. Nieminen.Title: Structure and magnetic properties of adatoms on carbon nanotubes.

Ref. x journal: Phys. Rev. B Key: Article Volume: 69, Pages: 155422 Year: (2004).

Authors: A. Krashennikov, K. Nordlund, P.O. Lehtinen, A.S. Foster, A. Ayuela, and R.M. Nieminen.

Title: Adsorption and migration of carbon adatoms on carbon nanotubes.

Ref. x journal: Phys. Rev. B Key: Article Volume: 69, Pages: 073402 Year: (2004)._________________________________________________________________________________________Authors: A.T. Zayak, P. Entel, J. Enkovaara, A. Ayuela and R.M. Nieminen.Title: First principles investigation of Phonon softening and lattice instabilities in magnetic-shape-memory alloy Ni_2MnGa.

Ref. x journal: Phys. Rev. BKey: Article Volume: 68, Pages: 13402 Year: (2003)._________________________________________________________________________________________

Authors: P.O. Lehtinen, A.S. Foster, A. Ayuela, A. Krashennikov, K. Nordlund, and R.M. Nieminen.

Title: Diffusion of adatoms on a graphene sheet.

Ref. x journal: Phys. Rev. Lett. Key: Article Volume: 91, Pages: 017202 Year: (2003)._________________________________________________________________________________________

Authors: A.T. Zayak, P. Entel, J. Enkovaara, A. Ayuela and R.M. Nieminen.Title: Ab-initio investigation of the Ni_2MnGa tetragonal modulated structure.

Ref. x journal: J. Phys. Condens. Matt. Key: Article Volume: 15, Pages: 159 Year: (2003)._________________________________________________________________________________________Authors: J. Enkovaara, O. Heczko, A. Ayuela, and R.M. Nieminen.Title: Coexistence of ferro- and antiferromagnetic order in Mn-doped Ni_2MnGa.

Ref. x journal: Phys. Rev. B Key: Article Volume: 67, Pages: 212405 Year: (2003)._________________________________________________________________________________________Authors: J. Enkovaara, A. Ayuela, L. Nordström, R.M. Nieminen.Title: Non-collinear magnetic order in Ni_2MnX (X=Al,Ga).

Ref. x journal: Phys. Rev. B Key: Article Volume: 67, Pages: 054417 Year: (2003)._________________________________________________________________________________________Authors: J. Enkovaara, A. Ayuela, L. Nordström, R.M. Nieminen.Title: Structural, thermal, and magnetic properties of Ni_2MnGa.

Ref. x journal: J. Appl. Phys. Key: Article Volume: 91, Pages: 7798 Year: (2002)._________________________________________________________________________________________

Authors: N. Zabala, M.J. Puska, H. Raebiger, and R.M. Nieminen. Title: Electronic structure of magnetism in metallic nanowires.

Ref. x journal: J. Mag. Mag. Mat. Key: Article Volume: 249, Pages: 193 Year: (2002)._________________________________________________________________________________________

Authors: A. Ayuela, J. Enkovaara and R.M. Nieminen.Title: Ab-initio study of tetragonal variants in Ni_2MnGa alloys.

Ref. x journal: J. Phys. Condens. Matt. Key: Article Volume: 14, Pages: 5325 Year: (2002)._________________________________________________________________________________________Authors: J. Enkovaara, A. Ayuela,L. Nordström, R.M. Nieminen.Title: Magnetic anisotropy in Ni_2MnGa.

Ref. x journal: Phys. Rev. B Key: Article Volume: 65, Pages: 134422 Year: (2002)._________________________________________________________________________________________Authors: A. Ayuela, H. Raebiger, M.J. Puska, and R. M. Nieminen.Title: Spontaneous magnetization of aluminum nanowires deposited on the NaCl(100) surface.

Ref. x journal: Phys. Rev. B Key: Article Volume: 66, Pages: 035417 Year: (2002)._________________________________________________________________________________________

Authors: J. Enkovaara, A. Ayuela, and R.M. Nieminen. Title: Interlayer coupling in Co/Si sandwich structures.


Authors: A. Ayuela, J. Enkovaara, K. Ullakko and R.M. Nieminen.Title: Structural properties of magnetic Heusler alloys.

Ref. x journal: J.Phys.: Condens. Matter. Key: Article Volume: 11, Pages: 2017 Year: (1999)._________________________________________________________________________________________

Authors: A. Aguado, A. Ayuela, J.M. Lopez and J.A. Alonso. Title: Ab-initio calculations and stabilities of (NaI)_nNa+ and (CsI)_nCs^+ cluster ions.

Ref. x journal: Phys. Rev. B Key: Article Volume: 58, Pages: 9972 Year: (1998)._________________________________________________________________________________________Authors: A. Aguado, A. Ayuela, J.M. Lopez and J.A. Alonso.

Title: Lattice distorsions around a Tl+ impurity in NaI: Tl+ and CsI:Tl+ scintillators.

An ab-initio study involving large active clusters.

Ref. x journal: Phys. Rev. B Key: Article Volume: 58, Pages: 11964 Year: (1998)._________________________________________________________________________________________Authors: A. Aguado, A. Ayuela, J.M. Lopez and J.A. Alonso. Title: Structure and bonding in small neutral alkali halide clusters.

Ref. x journal: Phys. Rev. B Key: Article Volume: 56, Pages: 15353 - 15360 Year: (1998)_________________________________________________________________________________________

Authors: G. Seifert, A.Bartl,L.Dunsch, A. Ayuela, A. Rockenbauer.Title: Electron spin resonance spectra: geometrical and electronic structure

of endohedral fullerenes.

Ref. x journal: App. Phys. A Key: Article Volume: 66, Pages: 265 - 271 Year: (1998)._________________________________________________________________________________________Authors: E. de la Puente, A. Aguado, A. Ayuela and J.M. López.Title: Structural and Electronic Properties of Small Neutral (MgO)_n Clusters.


Authors: A. Aguado, A. Ayuela, J.M. López, and J.A. Alonso. Title: Structure and Bonding in Small Neutral Alkali-Halide Clusters.

Ref. x journal: Phys. Rev. B Key: Article Volume: 56, Pages: 15353 Year: (1997)_________________________________________________________________________________________

Authors: A. Aguado, A. Ayuela, J.M. Lopez, J.A. Alonso. Title: Ab initio Calculation of the Band Gap Energy and Study of Cross Luminescence in Alkaline-

Earth Dihalide Crystals.

Ref. x journal: J. Phys. Soc. of Japan Key: Article Volume: 68, Pages: 2829 Year: (1999)._________________________________________________________________________________________

Authors: J.F. Rivas-Silva, A. Flores-Riveros, A.Ayuela, M. BerrondoTitle: Atom-in-the-lattice description of Ce^{+3} impurity centers.

Ref. x journal: Computational Material Science Key: Article Volume: 11, Pages: 150 Year: (1998).

_________________________________________________________________________________________

Authors: A. Aguado, A. Ayuela, J.M. López, and J.A. Alonso. Title: Theoretical study of (NaI)_n clusters (n\le 15).

Ref. x journal: J. Phys. Chem B Key: Article Volume: 101, Pages: 5944

_________________________________________________________________________________________

Authors: A. Aguado, A. Ayuela, J.M. Lopez, J.A. Alonso, F. Rivas, and M. Berrondo.Title: Calculation of the band gap of alkali-halide crystals.

Ref. x journal: Rev. Mex. Fis. Key: Article Volume: 44, Pages: 550 Year: (1998)._________________________________________________________________________________________Authors: A. Ayuela, J.M. López, and J.A. Alonso. Title: Ab-initio study of small (NaCl)_nNa^+ clusters.

Ref. x journal: Can. J. of Physics Key: Article Volume: 76, Pages: 311 Year: (1998)._________________________________________________________________________________________

Authors: A. Ayuela, G. Seifert, R. Schimdt. Title: Electronic Structure of Lanthanum-Carbon Clusters.

Ref. x journal: Z. Phys. D Key: Article Volume: 41, Pages: 69 Year: (1997)._________________________________________________________________________________________Authors: D. Porezag, G. Jungnickel, Th. Frauenheim, G. Seifert, A. Ayuela, and M.R. Pederson. Title: Theoretical investigations of homo- and heteronuclear bridged oligomers.

Ref. x journal: Applied Physics A Materials Science & Processing, Key: Article Volume: 64, Pages: 321 -Year: (1997)._________________________________________________________________________________________

Authors: A. Ayuela, P.W. Fowler, D. Mitchell, R. Schmidt, G. Seifert and F. Zerbetto. Title: C_{62}: theoretical evidence for a non-classical fullerene with a heptagonal ring.

Ref. x journal: J. Phys. Chem. (letter) Key: Article Volume: 100, Pages: 15634 Year: (1996)_________________________________________________________________________________________

Authors: A. Ayuela, J.M. López, and J.A. Alonso. Title: Structure, stability and electronic properties of (NaCl)_n clusters (n \le 19) .

Ref. x journal: Physica B Key: Article Volume: 212, Pages: 329 - 342 Year: (1995)._________________________________________________________________________________________Authors: A. Ayuela, U. Lammers, and G. Borstel

Title: Theoretical study of a Fe_{15} cluster by means of the TB-LMTO method. Ref. x journal: Computational Material Science Key: Article Volume: 2, Pages: 589 Year: (1994)._________________________________________________________________________________________Authors: A. Ayuela, J.M. López, V. Luaña, and J.A. Alonso.Title: Theoretical Study of NaCl clusters. Ref. x journal: Z. Phys. D. Key: Article Volume: 26, Pages: S213Year: (1993)._________________________________________________________________________________________

Authors: J.M. Recio, A. Ayuela, R. Pandey and A.B. Kunz.Title: Quantum mechanical calculations of stoichiometric MgO cluster.

Ref. x journal: Z. Phys. D Key: Article Volume: 26, Pages: S273 - Year: (1993)._________________________________________________________________________________________Authors: A. Ayuela, J.M. López, V. Luaña, and J.A. Alonso.Title: Theoretical Study of The Electronic and Structural Properties of Small (NaCl)_n clusters.

Ref. x journal: Annales de Física Key: Article Volume: 90, Pages: 190 - Year: 1994_________________________________________________________________________________________Authors: J.M. Recio, R. Pandey, A. Ayuela and A.B. Kunz.Title: Molecular Orbital Calculations on (MgO)_n and (MgO)_n^+ Clusters (n= 1-13).

Ref. x journal: J. Chem. Phys. Key: Article Volume: 98, Pages: 4783 -Year:(1993)_________________________________________________________________________________________

Otro tipo de publicaciones:

___________________________________________________________________________________________________

Authors: J.M. Lopez, A. Ayuela, and J.A. Alonso. Title: Electronic and Atomic Structure of Na_xZn Clusters in the Spherically Averaged Pseudopotential Model. Density Functional Methods in Chemistry. Eds. J.K. Labanowski and J.W. Andzelm.

Ref. journal: x Libro Key: Book Chapter Volume: Pages: 373 - 386. Year: (1991).Editorial: Series Springer-Verlag.

_________________________________________________________________________________________

Authors: M. Krause, L. Dunsch, G. Seifert, A. Ayuela, A. Gromov, and W. Kratschmer. Title: Molecular Nanostructures.

Ref. x journal: x Libro: Key: Book Chapter Volume: Pages: 101 - 105 Year: 1998Editorial: World ScientificSingapore_________________________________________________________________________________________Authors: A. Ayuela, J.L. Mozos, R.M. Nieminen, and M.J. Puska. Title: Nanowires: electronic and ionic structures, cohesive and transport properties

Ref. x journal: Psi_k Newsletter Clave: R Volume: Highlight Pages: Year:(1998)._________________________________________________________________________________________Authors: J. Enkovaara, A. Ayuela, A.T. Zayak, P. Entel, L. Norsdtröm, M. Dube, J. Jalkanen, J. Imppola and R.M. Nieminen. Title: Magnetically Driven Shape Memory Alloys.

Ref. x journal: Material Science and Engineering AClave: R Volume: 378, Pages: 52 - 60Year:(2004)._________________________________________________________________________________________

Authors: A. AyuelaTitle: Estudio teórico de propiedades electrónicas, estructurales y magnéticas de pequeños agregados atómicos.

Ref. _ journal: _ Libro Clave: S Volume: Pages: Year: (1995), 250 pag.PhD Thesis. University of Valladolid_________________________________________________________________________________________Authors: A. AyuelaTitle: Estudio de los clusters de Na_x Zn (x\le 23) por medio del modelo

SAPS (pseudopotential spherically averaged model). 101 pag.

Ref. _ journal: _ Libro Clave: S Volume: Year: (1989).

Editorial : Diploma Thesis. University of Valladolid_________________________________________________________________________________________

Authors: J. Enkovaara, A. Ayuela and R.M. Nieminen.Title: Atomistic Simulations of Magnetic Shape Memory Alloys.

Ref. x journal: CSC Report on Scientific ComputingClave:Divulgación Volume: Pages: Year: 2001-2003.

_________________________________________________________________________________________Authors: H. Raebiger, T. Hynninen, M. Gachenkova, J. von Boehm, A. Ayuela and R. M. Nieminen.Title: Electronic and magnetic properties of magnetic semiconductors.

Ref. x journal: CSC Report on Scientific ComputingClave:Divulgación Volume: Pages: 56-59Year: 2004-2005.

dr andres ayuela fernandez

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