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Pietro Delugas
Pietro Delugas
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Advanced capabilities for materials modelling with Quantum ESPRESSO
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
67512017
Quantum ESPRESSO toward the exascale
P Giannozzi, O Baseggio, P Bonf, D Brunato, R Car, I Carnimeo, ...
The Journal of chemical physics 152 (15), 2020
10992020
Methylammonium rotational dynamics in lead halide perovskite by classical molecular dynamics: the role of temperature
A Mattoni, A Filippetti, MI Saba, P Delugas
The Journal of Physical Chemistry C 119 (30), 17421-17428, 2015
3152015
Spontaneous 2-Dimensional Carrier Confinement at the -Type Interface
P Delugas, A Filippetti, V Fiorentini, DI Bilc, D Fontaine, P Ghosez
Physical review letters 106 (16), 166807, 2011
2492011
Thermally activated point defect diffusion in methylammonium lead trihalide: anisotropic and ultrahigh mobility of iodine
P Delugas, C Caddeo, A Filippetti, A Mattoni
The journal of physical chemistry letters 7 (13), 2356-2361, 2016
1542016
Variational pseudo-self-interaction-corrected density functional approach to the ab initio description of correlated solids and molecules
A Filippetti, CD Pemmaraju, S Sanvito, P Delugas, D Puggioni, ...
Physical Review B 84 (19), 195127, 2011
1032011
Dielectric properties and long-wavelength optical modes of the high-κ oxide LaAlO 3
P Delugas, V Fiorentini, A Filippetti
Physical Review B 71 (13), 134302, 2005
992005
Temperature evolution of methylammonium trihalide vibrations at the atomic scale
A Mattoni, A Filippetti, MI Saba, C Caddeo, P Delugas
The Journal of Physical Chemistry Letters 7 (3), 529-535, 2016
962016
Methylammonium lead-iodide perovskite: Recombination and photoconversion of an inorganic semiconductor within a hybrid body
A Filippetti, P Delugas, A Mattoni
J. Phys. Chem. C 118 (141003113832004), 2014
94*2014
Low electron-polar optical phonon scattering as a fundamental aspect of carrier mobility in methylammonium lead halide CH 3 NH 3 PbI 3 perovskites
A Filippetti, A Mattoni, C Caddeo, MI Saba, P Delugas
Physical Chemistry Chemical Physics 18 (22), 15352-15362, 2016
932016
Doping-dependent band structure of LaAlO/SrTiO interfaces by soft x-ray polarization-controlled resonant angle-resolved photoemission
C Cancellieri, ML Reinle-Schmitt, M Kobayashi, VN Strocov, PR Willmott, ...
Physical Review B 89 (12), 121412, 2014
892014
Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advanced ab initio methods
T Archer, CD Pemmaraju, S Sanvito, C Franchini, J He, A Filippetti, ...
Physical Review B 84 (11), 115114, 2011
882011
Prediction of a native ferroelectric metal
A Filippetti, V Fiorentini, F Ricci, P Delugas, J iguez
Nature communications 7 (1), 11211, 2016
862016
Giant oscillating thermopower at oxide interfaces
I Pallecchi, F Telesio, D Li, A Fte, S Gariglio, JM Triscone, A Filippetti, ...
Nature communications 6 (1), 6678, 2015
782015
Appealing perspectives of hybrid lead–iodide perovskites as thermoelectric materials
A Filippetti, C Caddeo, P Delugas, A Mattoni
The Journal of Physical Chemistry C 120 (50), 28472-28479, 2016
772016
Dielectric Properties of High- Oxides: Theory and Experiment for
E Bonera, G Scarel, M Fanciulli, P Delugas, V Fiorentini
Physical review letters 94 (2), 027602, 2005
692005
Methylammonium fragmentation in amines as source of localized trap levels and the healing role of Cl in hybrid lead-iodide perovskites
P Delugas, A Filippetti, A Mattoni
Physical Review B 92 (4), 045301, 2015
632015
Entropy-suppressed ferroelectricity in hybrid lead-iodide perovskites
A Filippetti, P Delugas, MI Saba, A Mattoni
The journal of physical chemistry letters 6 (24), 4909-4915, 2015
612015
Thermopower in oxide heterostructures: The importance of being multiple-band conductors
A Filippetti, P Delugas, MJ Verstraete, I Pallecchi, A Gadaleta, D Marr, ...
Physical Review B 86 (19), 195301, 2012
592012
Meta-screening and permanence of polar distortion in metallized ferroelectrics
HJ Zhao, A Filippetti, C Escorihuela-Sayalero, P Delugas, E Canadell, ...
Physical Review B 97 (5), 054107, 2018
552018
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