PUBLICATIONS SINCE NOVEMBER, 1998 PAPERS IN INTERNATIONAL JOURNALS
2009 1. G. H. Enevoldsen, H. P. Pinto, A. S. Foster, M. C. R. Jensen, W. A. Hofer, B. Hammer, J. V. Lauritsen, F. Besenbacher. Imaging the hydrogen subsurface site in rutile TiO2 – Phys. Rev. Lett. Vol. 102, p. 136103 (2009). online paper 2. F. Colauto, E. J. Patiño, M. Aprili, W. A. Ortiz. The role of demagnetizing factors in the occurrence of vortex avalanches in Nb thin films – Journal of Physics – Conference Series, in print (2009). online paper 3. H. P. Pinto, Georg H. Enevoldsen, F. Besenbacher, J. V. Lauritsen, A. S. Foster. Role of the tip size and orientation, tip-surface relaxations and surface impurities in simultaneous AFM and STM studies on the TiO2(110) surface – Nanotechnology (2009), accepted. online paper 2008 1. G. H. Enevoldsen, H. P. Pinto, A. S. Foster, M. C. R. Jensen, A. Kühnle, M. Reichling, W. A. Hofer, J. V. Lauritsen, F. Besenbacher. Detailed scanning probe microscopy tip models determined from simultaneous atom-resolved AFM and STM studies of the TiO2(110) surface – Phys. Rev. B, Vol. 78, p. 045416 (2008) online paper 2. F. Colauto, E. J. Patiño, M. G. Blamire, W. A. Ortiz. Boundaries of the instability region on the HT diagram of Nb thin films – Supercond. Sci. Technol. Vol. 21, p. 045018 (2008) online paper 2007 1. M. R. Swift, P. Sánchez and P. J. King, Segregation and Pattern Formation in Vibrated Granular Mixtures, to appear in Advances in Science and Technology 2007. 2. L. Villamagua, R. Barreto, L. M.Prócel, A. Stashans. Hydrogen impurity in SrTiO3: structure, electronic properties and migration – Physica Scripta Vol. 75, p. 374 (2007) online paper 3. A. Stashans, R. Rivera. H-doped PbTiO3: structure and electronic properties – Int. J. Quant. Chem. Vol. 107, p. 1508 (2007) online paper 4. E. Patiño, C. Bell and M.G. Blamire. Re-entrant behaviour of Superconductivity induced in S/F bilayer structures, Submitted to PRB 2007. 5. A. Stashans, C. Chamba and H. P. Pinto. Electronic Structure, Chemical Bonding, and Geometry of Pure and Sr-Doped CaCO3, J. Comput. Chem. Vol. 29, p. 343. (2007) online paper 2006 1. H. Pinto, S. D. Elliott. The short-range nature of the Verwey transition in Fe3O4: band structure and Jahn-Teller distortion, J. Phys.: Condens. Matter, 2006, Vol. 18, p. 10427-10436. online paper 2. A. Stashans, R. Viteri, J. Torres. Ethanol adsorption on SrTiO3 surfaces- Int. J. Quant. Chem., Vol. 106, p. 1715 (2006). online paper 3. A. Stashans, S. Serrano, P. Medina. A quantum-chemical study of oxygen-vacancy defects in PbTiO3 crystals – Physica B, Vol. 381, p. 82 (2006). online paper 4. S. Serrano, A. Celi, A. Stashans. Quantum chemical modelling of Al-doped PZT crystals – Int. J. Nanotechnology, Vol. 3, p. 517 (2006). online paper 5. E. Patiño, Ph.D. thesis: Study of the Influence of Domain Walls in the Superconductor/Ferromagnet Proximity Effect, University of Cambridge, 2006. 2005 1. A. T. Catherall, P. López Alcaraz, P. Sánchez, Michael R. Swift and P. J. King, The Separation of Binary Granular Mixtures Under Vibration and Differential Magnetic Levitation Force, Physical Review E, 021303, 2005 online paper 2.E. Patiño, C. Bell and M.G. Blamire. Depairing current measurements in S/F hybrids, in preparation, 2005. 2004 1. P. Sánchez, Michael R. Swift, P.J. King, Stripe Formation in Granular Mixtures due to the Differential Influence of Drag, Physical Review Letters, 93, 184302, 2004. online paper 2. R. Viteri, D. Ortiz, A. Stashans. Quantum chemical study of photo-excited states in tetragonal SrTiO3 - Philosophical Magazine, Vol. 84, p. 1057 (2004). Resumen Descargar paper 3. S. D. Elliott, H. Pinto, Modelling the deposition of high-k dielectric films by first principles – J. Electroceram., 2004, Vol. 13, p. 117 – 120. online paper 4. H. Pinto, R. M. Nieminen, S. D. Elliott. Ab–initio study on γ–Al2O3 surfaces, Phys. Rev. B, 2004, Vol. 70, p. 125402-1 – 125402-11. online paper 5. A. Stashans. Defects in titanates - Int. J. Nanotechnology, Vol. 1, p. 399 (2004). online paper 6. E. Patiño, A. Ayuela and R.M. Nieminen. Phenomenological Theory of Superconductor Ferromagnet Interfaces, (in preparation) 2004. online paper 2003 1. L. M. Prócel, F. Tipán, A. Stashans. Mott-Wannier excitons in the tetragonal BaTiO3 lattice - International Journal of Quantum Chemistry, 2003, Vol. 91, p. 586. Abstract Download paper 2. P. Sánchez, A. Stashans. Computational study of Nb doped SrTiO3 - Materials Letters, 2003, Vol. 57, p. 1844. Abstract Download paper 3. J. Chimborazo, M. Castillo, C. Velasco, A. Stashans. H atom in BaTiO3 and CaTiO3 crystals: structure, electronic properties and diffusion - SPIE Proceedings, 2003, Vol. 5122, p. 280-286. Abstract Download paper 4. A. Stashans, H. Pinto, P. Sánchez. Superconductivity and Jahn-Teller polarons in titanates - Journal of Low Temperature Physics, 2003, Vol. 130, p. 415. Abstract Download paper 5. A. Stashans, S. Serrano, J. Ortiz. Radiation defects on SrTiO3 polar and non-polar surfaces - SPIE Proceedings, 2003, Vol. 5122, p. 264-270. Abstract Download paper 6. A. Sánchez, C. Zambrano, L. M. Prócel, A. Stashans. Structural and electronic properties of PZT - SPIE Proceedings, 2003, Vol. 5122, p. 310-316. Abstract Download paper 7. R. Viteri, L. M. Prócel, F. Tipán, D. F. Ortiz, A. Stashans. Quantum-chemical study of excitons in tetragonal BaTiO3 and SrTiO3 crystals - SPIE Proceedings, 2003, Vol. 5122, p. 295-302. Abstract Download paper 8. S. Serrano, C. Duque, P. Medina, A. Stashans. Oxygen- vacancy defects in PbTiO3 and BaTiO3 crystals: a quantum chemical study - SPIE Proceedings, 2003, Vol. 5122, p. 287-294. Abstract Download paper 9. H. Pinto, S. Elliott, A. Stashans. Theoretical study of structural and optical properties of F-centers in tetragonal BaTiO3 - SPIE Proceedings, 2003, Vol. 5122, p. 303-309. Abstract Download paper 10. M. Castillo, C. Velasco, A. Stashans. H atom in CaTiO3: structure and electronic properties - Philosophical Magazine, 2003, Vol. 83, p. 1845. Abstract Download paper 11. C. Duque, A. Stashans. Oxygen-vacancy defects on BaTiO3 (001) surface: a quantum chemical study - Physica B, 2003, Vol. 336, p. 227. Abstract Download paper 12. C. Zambrano, A. Sánchez, L. M. Prócel, A. Stashans. Structural and electronic properties of PbZrxTi1-xO3 (x=0.5, 0.375): a quantum-chemical study - International Journal of Quantum Chemistry, 2003, Vol. 95, p. 37. Abstract Download paper 13. C. Duque, A. Stashans. Structural and optical properties of F-center defects on barium titanate <001> surface - Materials Letters, 2003, Vol. 57, p. 3954. Abstract Download paper 2002 1. E. Patiño, A. Stashans, R. Nieminen. Quantum chemical study of effects produced by Nb- and La-doping in BaTiO3 - Key Engineering Materials, 2002, Vol. 206/213, p. 1325-1328. Abstract Download paper 2. A. Stashans, C. Zambrano, A. Sánchez, L. M. Prócel. Structural properties of PbTiO3 and PbZrxTi1-xO3: a quantum-chemical study - International Journal of Quantum Chemistry, 2002, Vol. 87, p. 145-151. Abstract Download paper 3. A. Stashans, S. Serrano. A quantum-chemical study of polar SrTiO3 (110) surface and oxygen-vacancy defects therein - Surface Science, 2002, Vol. 497, p. 285-293. Abstract Download paper 4. F. Erazo, A. Stashans. Structural and electronic properties of La-doped CaTiO3 crystal - International Journal of Quantum Chemistry, 2002, Vol. 87, p. 225-231. Abstract Download paper 5. P. Sánchez, A. Stashans. Computational studies and comparison of Nb- and La-doped SrTiO3 - Physica Status Solidi (b), 2002, Vol. 230, p. 397-400. Abstract Download paper 6. A. Stashans, J. Chimborazo. Effect of interstitial hydrogen on structural and electronic properties in BaTiO3 - Philosophical Magazine B, 2002, Vol. 82, p. 1145-1154. Abstract Download paper 7. H. Pinto, A. Stashans. Computational study of self-trapped hole polarons in tetragonal BaTiO3 - Physical Review B, 2002, Vol. 65, p. 134304. Abstract Download paper 8. H. Pinto, R. M. Nieminen. Density-functional study of impurity- related DX centers in CdF2 - Computational Materials Science, 2002, Vol. 25, p. 404-412. Abstract Download paper 9. M. A. Naylor, P. Sánchez, M. R. Swift. Chaotic Dynamics of an Air Damped Bouncing Ball, Physical Review E, Vol. 66, 057201, 2002. online paper 2001 1. A. Stashans. Quantum-chemical studies of free and potassium-bound hole polarons in SrTiO3 cubic lattice - Materials Chemistry and Physics, 2001, Vol. 68, p. 126-131. Abstract Download paper 2. A. Stashans, F. Vargas. Periodic LUC study of F centers in cubic and tetragonal SrTiO3 - Materials Letters, 2001, Vol. 50, p. 145-148. Abstract Download paper 3. E. Patiño, F. Erazo, A. Stashans. Electron transfer effect in BaTiO3 and CaTiO3 due to Nb-doping - Materials Letters, 2001, Vol. 50, p. 337-340. Abstract Download paper 4. A. Stashans, H. Pinto. Analysis of radiation-induced hole localisation in titanates - Radiation Measurements, 2001, Vol. 33, p. 553-555. Abstract Download paper 5. E. Patiño, A. Stashans. Structural and electronic effects in BaTiO3 due to the Nb doping - Ferroelectrics, 2001, Vol. 256, p. 189-200. Abstract Download paper 6. E. Patiño, A. Stashans. Structural and electronic properties in cubic and tetragonal BaTiO3 due to La impurity - Computational Materials Science, 2001, Vol. 22, p. 137-143. Abstract Download paper 7. P. Sánchez, A. Stashans. Computational study of structural and electronic properties of superconducting La-doped SrTiO3 - Philosophical Magazine B, 2001, Vol. 81, p. 1963-1976. Abstract Download paper 8. A. Stashans, F. Erazo, J. Ortiz, P. Valverde. Oxygen-vacancy defects on SrTiO3 (001) surface: a quantum-chemical study - Philosophical Magazine B, 2001, Vol. 81, p. 1977-1988. Abstract Download paper 9. H. Pinto, M. Yoshino, M. Morinaga, A. Stashans, R. Nieminen. Theoretical study of oxygen-vacancy defects in ferroelectric BaTiO3 - Bulletion of the Society Discrete-Variational Xa Japan, 2001, Vol. 14, p. 114-117. Abstract Download paper 2000 1. H. Pinto, A. Stashans, P. Sanchez. Theoretical studies of impurity doped and undoped BaTiO3 and SrTiO3 crystals - In Defects and Surface-Induced Effects in Advanced Perovskites, Ed. G. Borstel, NATO Science Series, High Technology, 2000, Vol. 77, p. 67-72. Abstract Download paper 2. H. Pinto, A. Stashans. Quantum-chemical simulation of Al- and Sc-bound hole polarons in BaTiO3 crystal - Computational Materials Science, 2000, Vol. 17, p. 73-80. Abstract Download paper 3. A. Stashans, P. Sánchez. A theoretical study of La-doping in strontium titanate - Materials Letters, 2000, Vol. 44, p. 153-157. Abstract Download paper 4. F. Erazo, A. Stashans. Quantum-chemical studies of Nb-doped CaTiO3 crystal - Philosophical Magazine B, 2000, Vol. 80, p. 1499-1506. Abstract Download paper 5. A. Stashans, H. Pinto. Hole polarons in pure BaTiO3 studied by computer modeling - International Journal of Quantum Chemistry, 2000, Vol. 79, p. 358-366. Abstract Download paperABSTRACTS OF INTERNATIONAL CONFERENCES 1. H. Pinto, A. Stashans, P. Sánchez. Theoretical studies of impurity-doping in BaTiO3 and SrTiO3 - NATO Workshop on Def. Surf. Eff. Adv. Perovskites, Jurmala (Latvia), 1999, p.37. Abstract 2. A. Stashans, H. Pinto. Self-trapped polarons in BaTiO3 and SrTiO3 crystals - 5th Int. Conf. Comput. Phys., Kanazawa (Japan), 1999, p1-10. Abstract 3. A. Stashans, P. Sánchez. Superconductivity in La-doped SrTiO3: a computer modeling - 5th Int. Conf. Comput. Phys., Kanazawa (Japan), 1999, p1-11. Abstract 4. A. Stashans, F. Erazo. Computer modeling of CaTiO3 crystal doped with Nb - 5th Int. Conf. Comput. Phys., Kanazawa (Japan), 1999, p1-12. Abstract 5. A. Stashans, J. Coloma. Computer modeling of cubic and tetragonal phases of PbTiO3, PbZrxTi1-xO3 and PbMgxTi1-xO3 - 5th Int. Conf. Comput. Phys., Kanazawa (Japan), 1999, p1-14. Abstract 6. A. Stashans, J. Ortiz. Quantum-chemical modeling of the SrTiO3 (001) surface and point defects therein - 5th Int. Conf. Comput. Phys., Kanazawa (Japan), 1999, p1-23. Abstract 7. A. Stashans, F. Vargas. Studies of F-type centres in SrTiO3 crystal - 18th Europ. Phys. Soc. Conf., Montreux (Switzerland), 2000, p. 111. Abstract 8. P. Sánchez, E. Patiño, F. Erazo, H. Pinto, A. Stashans. Computer modelling of impurities in titanates - 18th Europ. Phys. Soc. Conf., Montreux (Switzerland), 2000, p. 110. Abstract 9. A. Stashans, F. Vargas. F-type centers in cubic and tetragonal lattices of SrTiO3 crystal - 14th Int. Conf. Def. Insulat. Mat., Johannesburg (South Africa), 2000, p. 68. Abstract 10. A. Stashans, F. Erazo. Structural and electronic properties due to the Nb-doping in cubic and orthorhombic phases of CaTiO3 crystal - 14th Int. Conf. Def. Insulat. Mat., Johannesburg (South Africa), 2000, p. 66. Abstract 11. P. Sánchez, B. Campuzano N., A. Stashans. Computer modelling of La-doped SrTiO3 and a new model for superconductivity in ceramics - 14th Int. Conf. Def. Insulat. Mat., Johannesburg (South Africa), 2000, p. 67. Abstract 12. A. Stashans, P. Sánchez, F. Erazo, F. Vargas. Computer modeling of point defects in titanate ceramics - 102th Meeting Amer. Cer. Soc., St. Louis, Missouri (USA), 2000. Abstract 13. A. Stashans, H. Pinto. Radiation induced hole polarons in BaTiO3 and SrTiO3 ceramics - 102th Meeting Amer. Cer. Soc., St. Louis, Missouri (USA), 2000. Abstract 14. A. Stashans, H. Pinto. Analysis of radiation induced hole localisation in titanates - 4th Europ. Conf. Luminescent Detectors Transformers Ionizing Rad., Jurmala (Latvia), 2000, p. 103. Abstract 15. P. Sánchez, H. Pinto, A. Stashans. Computer Modelling of Crystalline Ternary Compounds Doped with Impurities - 3rd Europ. Conf. Comput. Chem., Budapest (Hungary), 2000. Abstract 16. H. Pinto, R. Nieminen, A. Stashans. DFT and semi-empirical studies of acceptor centres in BaTiO3 - XXXIV Annual Conf. Finnish Phys. Soc., Helsinki (Finland), 2000, p. 202. Abstract 17. E. Patiño, A. Stashans. Lattice distortion and electronic properties of BaTiO3 due to Nb and La doping - Conf. Comput. Phys., Brisbane (Australia), 2000. Abstract 18. F. Erazo, S. Serrano, A. Stashans. A quantum-chemical investigation of oxygen-vacancy defects on SrTiO3 (110) and (001) surfaces - 103th Meeting Amer. Cer. Soc., Indianapolis (USA), 2001. Abstract 19. H. Pinto, R. Nieminen. Theoretical study of bistability in CdF2 - 103th Meeting Amer. Cer. Soc., Indianapolis (USA), 2001. Abstract 20. H. Pinto, A. Stashans. Computational study of free hole in the tetragonal BaTiO3 - 103th Meeting Amer. Cer. Soc., Indianapolis (USA), 2001. Abstract 21. E. Patiño, A. Stashans, R. Nieminen. Quantum chemical study of effects produced by Nb- and La-doping in BaTiO3 - 7th Conf. Europ. Cer. Soc., Brugge (Belgium), 2001. Abstract 22. S. Serrano, F. Erazo, A. Stashans. A theoretical study of SrTiO3 (110) and (001) surfaces - 7th Conf. Europ. Cer. Soc., Brugge (Belgium), 2001. Abstract 23. E. Patiño, A. Stashans. Structural and electronic effects in BaTiO3 due to Nb and La doping - XXXV Annual Conf. Finnish Phys. Soc., Juvaskyla (Finland), 2001, p. 18. Abstract 24. C. Zambrano, A. Sánchez, L. M. Prócel, A. Stashans. Study of structural and electronic properties of wide band-gap semiconductor PbTiO3 doped with Zr - 21st Int. Conf. Def. Semiconductors, Giessen (Germany), 2001, p. pb114. Abstract 25. P. Sánchez, A. Stashans. Computational studies of Nb-doped SrTiO3 - 11th Int. Conf. Rad. Eff. Insulators, Lisbon (Portugal), 2001. Abstract 26. J. Torres, R. Viteri, A. Stashans. A theoretical study of water adsorption on the SrTiO3 (001) surface considering cubic and tetragonal lattices - 20th Europ. Conf. Surf. Sci., Krakow (Poland), 2001. Abstract 27. P. Sánchez, A. Stashans. Computational studies and comparison of Nb and La doped SrTiO3 - PASI Int. Conf. Phys. Technol. Nanometer Scale, San Jose (Costa Rica), 2001, p. sat42. Abstract 28. H. Pinto, M. Yoshino, M. Morinaga, A. Stashans. Theoretical study of oxygen-vacancy defects in ferroelectric BaTiO3 - DV-Xa Int. Workshop ('01) & 14th Ann. Meet. Society DV-Xa Japan, Riken, Saitana (Japan), 2001, p. 29. Abstract 29. C. Zambrano, A. Sánchez, L. M. Prócel, J. M. Larrea, A. Stashans, N. Vinueza, W. Cao, S. Dávalos. Impurity doping of lead titanates. A quantum mechanical study - 2001 MRS Fall Meeting, Boston (USA), 2001. Abstract 30. A. Stashans, P. Sánchez, H. Pinto. Superconductivity and JT polarons in titanates - Workshop Vortex Dynamics HTSC, Tashkent (Uzbekistan), 2002, p. 45. Abstract 31. J. Chimborazo, E. Patiño, A. Stashans. Effect of interstitial hydrogen on structural and electronic properties in BaTiO3 - 19th General Conf. Condens. Matter Division Europ. Phys. Soc., Brighton (United Kingdom), 2002, p. 230. Abstract 32. A. Stashans, S. Serrano, J. Ortiz. Radiation defects on SrTiO3 polar and non-polar surfaces - 3rd Int. Conf. Advanced Opt. Mater. Devices, Riga (Latvia), 2002, p. 30. Abstract 33. J. Chimborazo, M. Castillo, C. Velasco, A. Stashans. H atom in BaTiO3 and CaTiO3 crystals: structure, electronic properties and diffusion - 3rd Int. Conf. Advanced Opt. Mater. Devices, Riga (Latvia), 2002, p. 39. Abstract 34. S. Serrano, C. Duque, P. Medina, A. Stashans. Oxygen-vacancy defects in PbTiO3 and BaTiO3 crystals: a quantum chemical study - 3rd Int. Conf. Advanced Opt. Mater. Devices, Riga (Latvia), 2002, p. 40. Abstract 35. L. M. Prócel, R. Viteri, F. Tipán, D. F. Ortiz, A. Stashans. A quantum-chemical study of excitons in tetragonal BaTiO3 and SrTiO3 crystals - 3rd Int. Conf. Advanced Opt. Mater. Devices, Riga (Latvia), 2002, p. 41. Abstract 36. A. Sánchez, C. Zambrano, L. M. Prócel, A. Stashans. Structural and electronic properties of PZT - 3rd Int. Conf. Advanced Opt. Mater. Devices, Riga (Latvia), 2002, p. 42. Abstract 37. H. Pinto, S. Elliott, A. Stashans. Theoretical study of structural and optical properties of F-centres in tetragonal BaTiO3 - 3rd Int. Conf. Advanced Opt. Mater. Devices, Riga (Latvia), 2002, p. 43. Abstract