Prodotti della ricerca

 

Publication list

  • Filippetti, D. Vanderbilt, W. Zhong, Y. Cai and G.B. Bachelet. Chemical Hardness, Linear Response, and Pseudopotential Transferability. Phys. Rev. B 52, 11793 (1995).
  • Filippetti, V. Fiorentini, R. Valente, K. Stokbro and S. Baroni. Formation energy, stress and relaxations of low-index rhodium surfaces, in Material theory, Simulations, and Parallel Algorithms, edited by E. Kaxiras and J. D. Johannopoulos, MRS Proceedings 408, p. 457-462 (1996).
  • Fiorentini, A. Bosin, S. Oppo, A. Satta, A. Filippetti, and D. Fois. Ab-initio studies of material properties of wide-gap semiconductors, metal surfaces, and intermetallic alloys on vector and parallel supercomputers, in Sciences and Supercomputing, edited by G. Erbacci and M. Voli (Cineca, Bologna 1996), p.527-534.
  • Filippetti, A. Satta, D. Vanderbilt and W. Zhong. Hardness Conservation as a new transferability criterion: application to fully non-local pseudopotentials. Int. J. Quant. Chem., 61 3 (1997).
  • Filippetti and V. Fiorentini. Reconstructions of Ir (110) and (100): an ab-inito study, Surface Science, 377-379, 112 (1997).
  • Filippetti, M. Menchi, A. Bosin, and G. Cappellini, Relaxations at GaN (1010) and (110) surfaces. Proceedings of III-V Nitrides Symposium, MRS 1997 Fall Meeting.
  • Filippetti, V. Fiorentini, G. Cappellini and A. Bosin. Ionicity and Relaxation Anomalies at III-V Nitride Surfaces, Phys. Stat. Sol. (a) 170, 265 (1998).
  • Filippetti, Electron affinity in density-functional theory in the local-spin-density approximation, Phys. Rev. A 57, 914 (1998).
  • Filippetti, V. Fiorentini, G. Cappellini and A. Bosin. Anomalous relaxations and chemical trends at III-V nitride non-polar Surfaces, Phys. Rev. B 59, 8026 (1999).
  • Filippetti and V. Fiorentini, Faceting and stress of missing-row reconstructed transition-metal surfaces, Phys. Rev. B 60, 14366 (1999).
  • Filippetti, W. E. Pickett and B. M. Klein, Competition between Magnetic and Structural Transitions in CrN, Rev. B 59, 7043 (1999).
  • Filippetti and W. E. Pickett, Prediction of Ferromagnetic Ground State of NaCl-type FeN, Phys. Rev. B 59, 8397 (1999).
  • Weht, A. Filippetti and W. E. Pickett, Electronic Characteristics of Quasi-2D Metallochloronitrides: NaxHfNCl, Proceedings of HTS99 Conference, Miami (1999).
  • Weht, A. Filippetti and W. E. Pickett, Electron doping in the honeycomb bilayer superconductors (Zr, Hf)NCl, Europhysics Letters 48 (3), 320 (1999).
  • Filippetti and W. E. Pickett, Magnetic reconstruction at (001) CaMnO3 surface, Phys. Rev. Lett. 83, 4184 (1999).
  • Filippetti and V. Fiorentini. Theory and application of the stress density, Phys. Rev. B. 61, 8433 (2000).
  • Filippetti and W. E. Pickett, Double-exchange-driven spin pairing at the (001) surface of manganites. Phys. Rev. B 62, 11571 (2000).
  • Filippetti and Nicola A. Hill, Magnetic stress as a driving force of structural distortions: The case of CrN. Phys. Rev. Lett. 85, 5166 (2000).
  • A. Hill and A. Filippetti, First principles study of two magnetic ferroelectrics. Proceedings of the Pakistan Physical Society’s 8th National Simposyum on Frontiers in Physics, Government College, Lahore, Nov. 20-22 (2000).
  • Filippetti and V. Fiorentini, Stress and reconstructions on (001) transition metal surfaces. Comp. Mat. Sci. 20, 423 (2001).
  • Filippetti and N. A. Hill, First Principles Study of structural, electronic and magnetic interplay in ferromagnetic yttrium manganite, Journal of Magnetism and Magn. Mat. 236, 176 (2001).
  • Filippetti and N. A. Hill, On the coexistence of magnetism and ferroelectricity in perovskites, Phys. Rev. B 65, 195120 (2002).
  • A. Hill and A. Filippetti, Why are there any magnetic ferroelectrics? Journal of Magnetism and Magn. Mat. 242-245, 976 (2002).
  • Filippetti and N. A. Hill, A self-interaction corrected ultrasoft pseudopotential scheme for strongly-correlated and magnetic systems. Phys. Rev. B 67, 125109 (2003).
  • Filippetti and N. A. Spaldin, Strong-correlation effects in Born effective charges. Phys. Rev. B, 68, 045111 (2003).
  • Van Aken, T. M. Palstra, A. Filippetti, and N. A. Spaldin, The origin of ferroelectricity in magnetoelectric YMnO3, Nature Materials, 3 164 (2004).
  • Filippetti, N. A. Spaldin, and S. Sanvito, Self-interaction effects in (Ga,Mn)As and (Ga,Mn)N, Chem. Phys., 309, 59 (2005).
  • Filippetti, N. A. Spaldin, and S. Sanvito, Strong correlation and ferromagnetism in (Ga,Mn)As and (Ga,Mn)N, Journal of Magnetism and Magnetic Materials, 290-291 P2, 1391 (2005).
  • Filippetti and G. B. Bachelet, Electronic structure: the pseudopotential method, in Encyclopedia of Condensed Matter Physics, Edited by Franco Bassani, Jerry Liedl, and Peter Wyder. (Elsevier, Netherlands) (May 2005).
  • Delugas, V. Fiorentini, and A. Filippetti, Dielectric properties and long-wavelenght optical modes of the high-k oxide LaAlO3, Phys. Rev. B, 71 134302 (2005).
  • Filippetti and V. Fiorentini, Magnetic ordering in CuO from first-principles : a cuprate antiferromagnet with fully three-dimensional exchange interactions, Phys. Rev. Lett. 95, 086405 (2005)
  • Filippetti and V. Fiorentini, Ionic and metal bonding in noble-metal cuprates. Phys. Rev. B, 72, 035128 (2005).
  • Toher, A. Filippetti, S. Sanvito, and K. Burke, Self-interaction errors in density-functional calculations of electronic transport, Phys. Rev. Lett. 95, 146402 (2005).
  • Delugas, V. Fiorentini, and A. Filippetti, Dielectric properties of rare-earth oxides: general trends from theory, invited review in: Rare Earth Oxide Thin Films: Growth, Characterization and Applications, ed. by M. Fanciulli and G. Scarel (Springer Topics in Applied Physics, 106, 225-246, Berlin 2006).
  • Fiorentini, P. Delugas, and A. Filippetti, A theoretical view on the dielectric properties crystalline and amorphous high-k materials and films, invited review in Advanced Gate Stacks on High-Mobility Semiconductors, ed. A. Dimoulas, E. Gusev, P. McIntyre, and M. Heyns (Springer, Berlin, 2006).
  • Filippetti and V. Fiorentini, Double-exchange driven metal-insulator transition in Mn-doped CuO. Phys. Rev. B (Rapid Comm.), 74 220401 (2006).
  • Filippetti, Fiorentini, and G. M. Lopez, Electronic Structure Of Defects In Dielectrics With Electronic Correlation, in Physics and Technology of High-k Dielectrics – IV,  ECS Trans. 3, 267-275, (Electrochemical Society, Pennington 2006).
  • Fiorentini, P. Delugas,  A. Filippetti, and G. Pourtois, Dielectric Properties Of High-k Materials : A Theoretical View, in   Physics and Technology of High-k Dielectrics – IV, ECS Trans. 3, 309-314, (Electrochemical Society, Pennington 2006).
  • Alippi, V. Fiorentini, and A. Filippetti. Electronic Structure of Bulk and Defected CaCu3Ti4O12; in Physics and Technology of High-k Dielectrics – IV, ECS Trans. 3, 291-297, (Electrochemical Society, Pennington 2006).
  • Filippetti and V. Fiorentini, Self-Interaction-free Density-Functional Band Theory for Magnetic Cuprates, J. Magnetism and Magn. Mat. 310 1648 (2007).
  • Delugas, V. Fiorentini, and A. Filippetti, First-principles calculations on high-k dielectric materials, invited review in: New developments in advanced multifunctional ceramic materials and films, Edited by L. Mitoseriu (Transworld Research Network, Kerala 2007).
  • Filippetti and V. Fiorentini, Magnetic ordering under strain and Spin-Pierls dimerization in GeCuO3, Phys. Rev. Lett. 98, 196403 (2007).
  • Delugas, V. Fiorentini, A. Filippetti, and G. Pourtois, Cation charge anomalies and high-k dielectric behavior in DyScO3, Phys. Rev. B 75 115126 (2007).
  • Delugas, V. Fiorentini, A. Filippetti, and G. Pourtois, Conservation of dielectric constant upon amorphization in high-k perovskite oxides, Phys. Rev. B, 76 104112 (2007).
  • Colizzi, A. Filippetti, and V. Fiorentini, Magnetism of La2/3Sr1/3MnO3 under high-pressure from first principles. Phys. Rev. B, 76 064428 (2007).
  • Filippetti and V. Fiorentini, Electronic Properties and Doping Mechanism in Cuprates by First-Principles Calculations. International Journal of Nanotechnology, IEEE Conference Publishing, special issue (2007).
  • Filippetti and V. Fiorentini, Metal-insulating transitions and singlet polarons in one-dimensional Ca2+xY2-xCu5O10. Phys Rev. B 77, 235124 (2008).
  • Delugas, V. Fiorentini, A. Filippetti, Dielectric constant boost in amorphous sesquioxide. Appl. Phys. Lett., 92 172903 (2008).
  • Filippetti, G. Lopez, M. Mantega, and V.Fiorentini, Chain metallicity and competition between paramagnetism and antiferromagnetism in underdoped YBa2Cu3O6+x by first-principles calculations. Phys. Rev. B 78, 233103 (2008).
  • Puggioni, A. Filippetti, and V. Fiorentini, Fermi-surface pockets in YBa2Cu3O6.5: A comparison of ab-initio techniques. Phys. Rev. B 79, 064519 (2009).
  • Colizzi, A. Filippetti, F. Cossu, and V. Fiorentini, Interplay of strain and magnetism of La2/3Sr1/3MnO3 from first principles. Phys. Rev. B 78, 235122 (2008).
  • Colizzi, A. Filippetti, F. Cossu, and V. Fiorentini, Strain induced magnetic phase transitions in epitaxial (La,Sr)MnO3. Eur. Phys. J. B 70, 343 (2009).
  • Filippetti, and V.Fiorentini, A practical first-principles band-theory approach to the study of correlated materials. Eur. Phys. J. B 71, 139 (2009).
  • Filippetti, D. Puggioni, and V.Fiorentini, Fermi surface pockets in magnetic underdoped cuprates from First-Principles. Europhysics Letters 88 67009 (2009).
  • Peralta, D. Puggioni, A. Filippetti, and V. Fiorentini, Jahn-Teller stabilization of magnetic and orbital ordering in rocksalt CuO. Phys. Rev. B 80, 140408(R) (2009).
  • Delugas, V. Fiorentini, A. Filippetti, Dielectric and vibrational properties of bixbyite sesquioxides. Phys. Rev. B, 80 104301 (2009).
  • Cantoni, D. Petti, S. Brivio, R. Bertacco, I.Pallecchi, D.Marré, G. Colizzi,  A. Filippetti, and V. Fiorentini, Band Alignment at Cu2O/La0.67Sr0.33MnO3 interface: a combined experimental-theoretical determination. Appl. Phys. Lett. 97, 032115 (2010).
  • Colizzi, A. Filippetti, and V. Fiorentini, Multiferroicity and orbital ordering in Pr0.5Ca0.5MnO3 from First Principles. Phys. Rev. B 82, 140101(R) (2010).
  • Lopez, A. Filippetti, M. Mantega, and V.Fiorentini, Electronic and structural properties of oxygen-doped YBa2Cu3O6+y calculated by first-principles. Phys. Rev. B, 82, 195122 (2010).
  • Delugas, A. Filippetti, V. Fiorentini, D. Bilc, D. Fontaine, and Ph. Ghosez, Spontaneous electron localization in zero field as the origin of 2-dimensional electron gas at oxide interfaces. Phys. Rev. Lett. 106, 166807 (2011).
  • Franchini, T. Archer, J. He, A. Filippetti, and C. Sanvito, Exceptionally strong magnetism in 4d perovskites RTcO 3 (R=Ca, Sr, Ba). Phys. Rev. B 83, 220402(R) (2011) (2011).
  • Archer, C.D. Pemmaraju and S. Sanvito, C. Franchini and J. He, A. Filippetti, P. Delugas, D. Puggioni, V. Fiorentini, R. Tiwari, and P. Majumdar, Exchange interactions and magnetic phases of transition metal oxides: benchmarking advanced ab initio methods. Phys. Rev. B . 84, 115114 (2011).
  • Filippetti, C. D. Pemmaraju, D. Puggioni, P. Delugas, V. Fiorentini, and S. Sanvito, Introducing a variational pseudo-self-interaction correction approach for solids and molecules. Phys Rev. B 84, 195127 (2011).
  • F. Hao, A. Stroppa, S. Picozzi, A. Filippetti, and C. Franchini, Exceptionally large room-temperature ferroelectric polarization in the novel PbNiO3. Phys. Rev. B 86, 014116 (2012).
  • Scarrozza, A. Filippetti, and V. Fiorentini, Ferromagnetism and orbital order in a topological ferroelectric, Phys. Rev. Lett. 109, 217202 (2012).
  • Puggioni, A. Filippetti, and V. Fiorentini, Ordering and multiple phase transitions in ultra-thin nickelate superlattices, Phys. Rev. B 86, 195132 (2012).
  • Filippetti, P. Delugas, M. J. Verstraete, I. Pallecchi, A. Gadaleta, D. Marré, D. F. Li, S. Gariglio, and V. Fiorentini, Thermopower in oxide heterostructures: The importance of being multiple-band conductors. Phys. Rev. B 86, 195301 (2012).
  • Scarrozza, A. Filippetti, and V. Fiorentini. Multiferroicity in vanadium-doped La2Ti2O7: insights from first principles. Eur. Phys. .J B 86, 128 (2013).
  • Cossu, U. Schwingenschlõgl, G. Colizzi, A. Filippetti and V. Fiorentini. Surface antiferromagnetism and incipient metal-insulator transition in strained manganite films. Phys. Rev. B 87, 214420 (2013).
  • Delugas, A. Filippetti, M. Verstraete, I. Pallecchi, D. Marrè, and V. Fiorentini, Doping-induced dimensional crossover and thermopower burst in Nb-doped SrTiO3 superlattices.  Phys. Rev. B 88,  045310 (2013).
  • Scarrozza, M. B. Maccioni, G. M. Lopez, A. Filippetti, and V. Fiorentini, Multiferroic topological ferroelectrics, in Frontiers of Fundamental Physics and Physics Education Research, Springer Proceedings in Physics, Vol. 145, S. Burra, M. Michelini, L. Santi eds. (Springer, New York, 2013).
  • Delugas, A. Filippetti, A. Gadaleta, I. Pallecchi, D. Marré, and V. Fiorentini, Large band offset as driving force of 2-dimensional electron confinement: the case of SrTiO3/SrZrO3 interface. Phys. Rev. B . 88, 115304 (2013).
  • Ricci, A. Filippetti, and V. Fiorentini, Giant electroresistance and tunable magnetoelectricity in a multiferroic junction. Phys. Rev. B 88, 235416 (2013).
  • F. Hao, A. Stroppa, P. Barone, A. Filippetti, C. Franchini, and S. Picozzi, Structural and ferroelectric transitions in magnetic nickelate PbNiO3. New Journal of Physics, 16 015030 (2014).
  • Cancellieri, M. L. Reinle-Schmitt, M. Kobayashi, V. N. Strocov, P. R. Willmott, D. Fontaine, Ph. Ghosez, A. Filippetti, P. Delugas, and V. Fiorentini, Doping-dependent band structure of LaAlO3/SrTiO3 interfaces by soft x-ray polarization-controlled resonant angle-resolved photoemission. Phys. Rev. B. 89, 121412(R) (2014).
  • Filippetti and A. Mattoni, Hybrid perovskites for photoconversion devices. Insights from First-Principles. Phys. Rev. B. 89, 125203 (2014).
  • Ricci, P. Alippi, A. Filippetti, and V. Fiorentini, Multi-gap absorption in CaCu3Ti4O12 and the prediction capability of ab initio methods. Phys. Rev. B 90, 045132 (2014).
  • Filippetti, P. Delugas, and A. Mattoni. Radiative Recombination and Photoconversion of Methylammonium Lead Iodide Perovskite by First Principles: Properties of an Inorganic Semiconductor within a Hybrid Body. J. Phys. Chem. C 118, 24843 (2014).
  • Pallecchi, F. Telesio, D. Li, A. Fête , S. Gariglio, J.-M. Triscone, A. Filippetti, P. Delugas, V. Fiorentini, and D. Marré, Giant oscillating thermopower at oxide interfaces. Nat. Commun., 6, 6678 (2015).
  • Delugas, V. Fiorentini, A. Mattoni, and A. Filippetti. Intrinsic origin of the 2D electron gas at the (001) surface of SrTiO3. Phys. Rev. B 91, 115315 (2015).
  • Delugas, A. Filippetti, and A. Mattoni, Methylammonium Fragmentation in Amines as Source of Localized Trap States and the Healing Role of Interstitial Cl in Hybrid Lead-Iodide Perovskites. Phys. Rev. B 92, 045301 (2015).
  • Mattoni, A. Filippetti, M.I. Saba, and P. Delugas, Methylammonium Rotational Dynamics in Lead Halide Perovskite by Classical Molecular Dynamics: The Role of Temperature. J. Phys. Chem. C 119, 17421-17428 (2015).
  • Filippetti, P. Delugas, M. I. Saba, and A. Mattoni. Entropy-Suppressed Ferroelectricity in Hybrid Lead-Iodide Perovskites. J. Phys. Chem. Lett. 6, 4909 (2015).
  • Cancellieri, A.S. Mishchenko, U. Aschauer, A. Filippetti, C. Faber, O.S. Barišić, V.A. Rogalev, T. Schmitt, N. Nagaosa, and V.N. Strocov. Polaronic metal state at the LaAlO3/SrTiO3 interface. Nat. Commun. 7, 10386 (2016).
  • Filippetti, V. Fiorentini, F. Ricci, P. Delugas, and J. Íñiguez; Prediction of a native ferroelectric metal. Nature Commun. 7, 11211 (2016).
  • Mattoni, A. Filippetti, M.I. Saba, C. Caddeo, and P. Delugas. Temperature Evolution of Methylammonium Trihalide Vibrations at the Atomic Scale. J. Phys. Chem. Lett. 7, 529−535 (2016).
  • Francesco Ricci, Francesco Boschi, Andrea Baraldi, Alessio Filippetti, Masataka Higashiwaki, Akito Kuramata, Vincenzo Fiorentini, and Roberto Fornari. Theoretical and experimental investigation of optical absorption anisotropy in β-Ga2O3 . Journal of Physics: Condensed Matter. 28, 224005 (2016).
  • Filippetti, A. Mattoni, C. Caddeo, M.I. Saba, and P. Delugas. Low electron-polar optical phonon scattering at the fundament of carrier mobility in methylammonium lead-iodide perovskites. Phys. Chem. Chem. Phys. 18, 15352-15362 (2016).
  • Pallecchi, F. Telesio, D. Marré, D. Li, S. Gariglio, J.-M. Triscone, and A. Filippetti. Large phonon-drag enhancement induced by narrow quantum confinement at the LaAlO 3/SrTiO 3 interface. Phys. Rev. B 93, 195309 (2016).
  • Delugas, C. Caddeo, A. Filippetti, A. Mattoni. Thermally Activated Point-Defects Diffusion in Methylammonium Lead Trihalide: Anisotropic and Ultra-High Mobility of Iodine. J. Phys. Chem. Lett. 7, 2356–2361 (2016).
  • Caddeo, C. Melis, M. I: Saba, A. Filippetti, L. Colombo, and A. Mattoni. Tuning the thermal conductivity of methylammonium lead halide by the molecular substructure. Phys. Chem. Chem. Phys. 18, 24318-24324 (2016)
  • Alessio Filippetti, C. Caddeo, P. Delugas, A. Mattoni. On the Appealing Perspectives of Hybrid Lead-Iodide Perovskites as Thermoelectric Materials. J. Phys. Chem. C 120, 28472–28479 (2016).
  • Mattoni, A. Filippetti, C. Caddeo. Modelling hybrid perovskites by molecular dynamics. Journal of Physics: Condens. Matter, 29, 043001 (2017).
  • J. Fowlie, M. Gibert, G. Tieri, A. Gloter, J. Íñiguez, A. Filippetti, S. Catalano, S. Gariglio, A. Schober, M. Guennou, J. Kreisel, O. Stéphan, and J.‐M. Triscone. Conductivity and local structure of LaNiO3 Thin Films. Adv. Mater. 29, 1605197 (2017).
  • G. Mattoni, D. J Baek, N. Manca, N. Verhagen, L. F. Kourkoutis, A. Filippetti, and A. D. Caviglia. Enhancement of electron mobility at oxide interfaces induced by WO3 overlayers.  Submitted for publicationarXiv:1704.06522 (2017).
  • F. Telesio, R. Moroni, I. Pallecchi, D. Marré, G. Vinai, G. Panaccione, P. Torelli, S. Rusponi, C. Piamonteze, E. di Gennaro, A. Khare, F. Miletto Granozio, and A. Filippetti.  Study of equilibrium carrier transfer in LaAlO3/SrTiO3 from an epitaxial La1-xSrxMnO3  ferromagnetic layer. Submitted for publication.
  • C. Caddeo, M. I. Saba, S. Meloni, A. Filippetti, and A. Mattoni. Collective Molecular Mechanisms in the CH3NH3PbI3 Dissolution by Liquid Water. Submitted for publication.
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