Search Results - "Filippetti, A"

Methylammonium Rotational Dynamics in Lead Halide Perovskite by Classical Molecular Dynamics: The Role of Temperature by Mattoni, A, Filippetti, A, Saba, M. I, Delugas, P

“…An interatomic model potential for molecular dynamics is derived from first-principles and used to study the molecular rotations and relaxation times in…”
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Thermally Activated Point Defect Diffusion in Methylammonium Lead Trihalide: Anisotropic and Ultrahigh Mobility of Iodine by Delugas, P, Caddeo, C, Filippetti, A, Mattoni, A

“…We study the diffusion of point defects in crystalline methylammonium lead halide (MAPI) at finite temperatures by using all-atoms molecular dynamics. We find…”
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Appealing Perspectives of Hybrid Lead–Iodide Perovskites as Thermoelectric Materials by Filippetti, A, Caddeo, C, Delugas, P, Mattoni, A

“…The fundamental properties of lead halide perovskites, rivaling those of conventional semiconductors, make these systems attractive not just for solar cells…”
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Temperature Evolution of Methylammonium Trihalide Vibrations at the Atomic Scale by Mattoni, A, Filippetti, A, Saba, M.I, Caddeo, C, Delugas, P

“…The temperature evolution of vibrations of CH3NH3PbI3 (MAPI) is studied by combining first principles and classical molecular dynamics and compared to…”
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Polaronic metal state at the LaAlO3/SrTiO3 interface by Cancellieri, C., Mishchenko, A. S., Aschauer, U., Filippetti, A., Faber, C., Barišić, O. S., Rogalev, V. A., Schmitt, T., Nagaosa, N., Strocov, V. N.

“…Interplay of spin, charge, orbital and lattice degrees of freedom in oxide heterostructures results in a plethora of fascinating properties, which can be…”
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Self-interaction errors in density-functional calculations of electronic transport by TOHER, C, FILIPPETTI, A, SANVITO, S, BURKE, Kieron

“…All density-functional calculations of single-molecule transport to date have used continuous exchange-correlation approximations. The lack of derivative…”
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Donuts and Spin Vortices at the Fermi Surfaces of Hybrid Lead-Iodide CH3NH3PbI3 Perovskites by Filippetti, A, Caddeo, C, Bosin, A, Delugas, P, Mattoni, A

“…We show that spin–orbit coupling in methylammonium lead-iodide perovskite generates Fermi surfaces of peculiar topology: for the low charge-injection regime of…”
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Berry phase engineering at oxide interfaces by Groenendijk, D. J., Autieri, C., van Thiel, T. C., Brzezicki, W., Hortensius, J. R., Afanasiev, D., Gauquelin, N., Barone, P., van den Bos, K. H. W., van Aert, S., Verbeeck, J., Filippetti, A., Picozzi, S., Cuoco, M., Caviglia, A. D.

“…Three-dimensional strontium ruthenate (SrRuO_{3}) is an itinerant ferromagnet that features Weyl points acting as sources of emergent magnetic fields,…”
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Thermopower in oxide heterostructures: The importance of being multiple-band conductors by Filippetti, A., Delugas, P., Verstraete, M. J., Pallecchi, I., Gadaleta, A., Marré, D., Li, D. F., Gariglio, S., Fiorentini, V.

“…We combine transport experiments, advanced ab initio calculations, and model analysis to determine the thermoelectric power in the two-dimensional electron gas…”
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Structural and ferroelectric transitions in magnetic nickelate PbNiO3 by Hao, X F, Stroppa, A, Barone, P, Filippetti, A, Franchini, C, Picozzi, S

“…Density functional calculations have been tremendously useful in understanding the microscopic origin of multiferroicity and in quantifying relevant properties…”
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A practical first-principles band-theory approach to the study of correlated materials: Self-interaction corrected local-density-functional theory by Filippetti, A., Fiorentini, V.

“…The ever growing applicative importance of correlated materials, such as e.g. magnetic and superconducting oxides, urgently calls for a realistic and…”
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Structural and ferroelectric transitions in magnetic nickelate PbNiO 3 by Hao, X F, Stroppa, A, Barone, P, Filippetti, A, Franchini, C, Picozzi, S

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Surface antiferromagnetism and incipient metal-insulator transition in strained manganite films by Cossu, F., Schwingenschlögl, U., Colizzi, G., Filippetti, A., Fiorentini, Vincenzo

“…Using first-principles calculations, we show that the (001) surface of the ferromagnet La sub(0.7)Sr sub(0.3)MnO sub(3) under an epitaxial compressive strain…”
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Correction: Corrigendum: Polaronic metal state at the LaAlO3/SrTiO3 interface by Cancellieri, C., Mishchenko, A. S., Aschauer, U., Filippetti, A., Faber, C., Barišić, O. S., Rogalev, V. A., Schmitt, T., Nagaosa, N., Strocov, V. N.

“…Nature Communications 7 Article number: 10386 (2016); Published 27 January 2016; Updated 26 February 2016 In the original PDF version of this Article, which…”
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Fermi-surface pockets in magnetic underdoped cuprates from first principles by Filippetti, A, Puggioni, D, Fiorentini, V

“…Using an innovative first-principles band theory enabling the exploration of Mott-insulating magnetic cuprates, we study the Fermi surface of underdoped…”
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Study of equilibrium carrier transfer in LaAlO3/SrTiO3 from an epitaxial La1−xSrxMnO3 ferromagnetic layer by Telesio, F, Moroni, R, Pallecchi, I, Marré, D, Vinai, G, Panaccione, G, Torelli, P, Rusponi, S, Piamonteze, C, di Gennaro, E, Khare, A, Miletto Granozio, F, Filippetti, A

“…Using x-ray magnetic circular dichroism and ab-initio calculations, we explore the La1−xSrxMnO3/LaAlO3/SrTiO3 (001) heterostructure as a mean to induce…”
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Innovation in times of crisis: National Systems of Innovation, structure, and demand by Filippetti, Andrea, Archibugi, Daniele

“…This article addresses the impact of the current economic downturn on innovation across Europe. Using micro- and macro-data, we investigate to what extent some…”
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Corrigendum: Polaronic metal state at the LaAlO3/SrTiO3 interface by Cancellieri, C, Mishchenko, A S, Aschauer, U, Filippetti, A, Faber, C, Barišić, O S, Rogalev, V A, Schmitt, T, Nagaosa, N, Strocov, V N

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Strong correlation and ferromagnetism in (Ga,Mn)As and (Ga,Mn)N by Filippetti, A., Spaldin, N.A., Sanvito, S.

“…The band energies of the ferromagnetic diluted magnetic semiconductors (Ga,Mn)As and (Ga,Mn)N are calculated using a self-interaction-free approach which…”
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A promising outlook on the development of lead halide perovskites as spin-orbitronic materials by Filippetti, A., Wadhwa, P., Caddeo, C., Mattoni, A.

“…Hybrid lead halide perovskites have progressively overcome the horizon of materials for novel, highly efficient solar cells and are now proposed for a variety…”
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