Publications

Our Research
J. Phys. Chem. Lett., 14, 5, 1334–1342, (2023)
Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
S. Mauri, G. D’Olimpio, C. Ghica, L. Braglia, C.-N. Kuo, M.C. Istrate, C.S. Lue, L. Ottaviano, T. Klimczuk, D.W. Boukhvalov, A. Politano, and P. Torelli
Our Research
Nano Lett., 22, 17, 7034–7041, (2022)
Influence of Orbital Character on the Ground State Electronic Properties in the van Der Waals Transition Metal Iodides VI3 and CrI3
A. De Vita, T.T.P. Nguyen, R. Sant, G.M. Pierantozzi, D. Amoroso, C. Bigi, V. Polewczyk, G. Vinai, L.T. Nguyen, T. Kong, J. Fujii, I. Vobornik, N.B. Brookes, G. Rossi, R.J. Cava, F. Mazzola, K. Yamauchi, S. Picozzi, and G. Panaccione
From our users
Phys. Rev. B, 106, 035156, (2022)
Microscopic origin of magnetism in monolayer 3d transition metal dihalides
K. Riedl, D. Amoroso, S. Backes, A. Razpopov, T.P.T. Nguyen, K. Yamauchi, P. Barone, S.M. Winter, S. Picozzi, and R. Valentí
Involved NFFA technique:
DFT
Our Research
J. Appl. Phys., 131, 215703, (2022)
Toward machine learning for microscopic mechanisms: A formula search for crystal structure stability based on atomic properties
U. Gajera, L. Storchi, D. Amoroso, F. Delodovici and S. Picozzi
Involved NFFA technique:
DFT
From our users
Phys. Rev. Lett., 128 (17), 177202, (2022)
Curved Magnetism in CrI3
A. Edstrom, D. Amoroso, S. Picozzi, P. Barone, M. Stengel
Involved NFFA technique:
DFT
From our users
Nature, 602, 601–605, (2022)
Evidence for a single-layer van der Waals multiferroic
Q. Song, C.A. Occhialini, E. Ergeçen, B. Ilyas, D. Amoroso, P. Barone, J. Kapeghian, K. Watanabe, T. Taniguchi, A.S. Botana, S. Picozzi, N. Gedik & R. Comin
Involved NFFA technique:
DFT
From our users
Phys. Rev. Lett., 127, 247204, (2021)
Giant Biquadratic Exchange in 2D Magnets and Its Role in Stabilizing Ferromagnetism of NiCl2 Monolayers
J.Y. Ni, X.Y. Li, D. Amoroso, X. He, J.S. Feng, E.J. Kan, S. Picozzi, and H.J. Xiang
Involved NFFA technique:
DFT
From our users
Phys. Rev. Materials, 5, 104403, (2021)
Identification of hidden orbital contributions in the La0.65Sr0.35MnO3 valence band
F. Offi, K. Yamauchi, S. Picozzi, V. Lollobrigida, A. Verna, C. Schlueter, T.-L. Lee, A. Regoutz, D. J. Payne, A. Petrov, G. Vinai, G. M. Pierantozzi, T. Pincelli, G. Panaccione, and F. Borgatti
Involved NFFA techniques:
DFT, MBE
Our Research
Nanomaterials, 11, 1873, (2021)
Interplay between single-ion and two-ion anisotropies in frustrated 2d semiconductors and tuning of magnetic structures topology
D. Amoroso, P. Barone, S. Picozzi
Involved NFFA technique:
DFT
From our users
Phys. Rev. B, 104, 014414, (2021)
Electric-field tuning of the magnetic properties of bilayer VI3: A first-principles study
T.P.T. Nguyen, K. Yamauchi, T. Oguchi, D. Amoroso, and S. Picozzi​
Involved NFFA technique:
DFT
Our Research
Chem. Rev., 121, 5, 2816–2856, (2021)
Angle, Spin, and Depth Resolved Photoelectron Spectroscopy on Quantum Materials
P.D.C. King, S. Picozzi, R.G. Egdell, G. Panaccione
Our Research
Nat. Commun., 11, 5784, (2020)
Spontaneous skyrmionic lattice from anisotropic symmetric exchange in a Ni-halide monolayer
D. Amoroso, P. Barone, S. Picozzi
Involved NFFA technique:
DFT
From our users
Appl. Surf. Sci., 514, 145925, (2020)
Catalytic activity of PtSn4: Insights from surface-science spectroscopies
G. D'Olimpio, D.W. Boukhvalov, J. Fujii, P. Torelli, A. Marchionni, J. Filippi, C.-N. Kuo, R. Edla, L. Ottaviano, C.S. Lue, F. Vizza, S. Nappini, A. Politano
Involved NFFA techniques:
Ambient pressure XAS @ APE-HE, DFT, STM/STS
Our Research
Phys. Rev. Materials, 4, 025801, (2020)
Distinct behavior of localized and delocalized carriers in anatase TiO2 (001) during reaction with O2
C. Bigi, Z. Tang, G.M. Pierantozzi, P. Orgiani, P. K. Das, J. Fujii, I. Vobornik, T. Pincelli, A. Troglia, T.-L. Lee, R. Ciancio, G. Drazic, A. Verdini, A. Regoutz, P.D.C. King, D. Biswas, G. Rossi, G. Panaccione, and A. Selloni
Involved NFFA techniques:
ARPES and spin ARPES @ APE-LE, DFT
Our Research
Phys. Rev. Materials, 4, 025006, (2020)
Direct insight into the band structure of SrNbO3
C. Bigi, P. Orgiani, J. Slawinska, J. Fujii, J.T. Irvine, S. Picozzi, G. Panaccione, I. Vobornik, G. Rossi, D. Payne, and F. Borgatti
Involved NFFA techniques:
ARPES and spin ARPES @ APE-LE, DFT, PLD
From our users
Phys. Rev. B, 100, 174423, (2019)
Detecting antiferromagnetism in tetragonal Cr2O3 by electrical measurements
M. Asa, C. Autieri, C. Barone, C. Mauro, S. Picozzi, S. Pagano, and M. Cantoni
Involved NFFA technique:
DFT
Our Research
Phys. Rev. B, 99, 214427, (2019)
Possible emergence of a skyrmion phase in ferroelectric GaMo4S8
H. Zhang, J. Chen, P. Barone, K. Yamauchi, S. Dong, and S. Picozzi
Involved NFFA technique:
DFT
Our Research
Electron. Struct., 1, 014003, (2019)
Electronic properties of candidate type-II Weyl semimetal WTe2. A review perspective
P.K. Das, D. Di Sante, F. Cilento, C. Bigi, D. Kopic, D. Soranzio, A. Sterzi, J.A. Krieger, I. Vobornik, J. Fujii, T. Okuda, V.N. Strocov, M.B.H. Breese, F. Parmigiani, G. Rossi, S. Picozzi, R. Thomale, G. Sangiovanni, R.J. Cava, and G. Panaccione
Our Research
Phys. Rev. B, 99, 075306, (2019)
Fe/GeTe(111) heterostructures as an avenue towards spintronics based on ferroelectric Rashba semiconductors
J. Sławińska, D. Di Sante, S. Varotto, C. Rinaldi, R. Bertacco, and S. Picozzi
From our users
Phys. Rev. Lett., 121, 076401, (2018)
Influence of Spin-Orbit Coupling in Iron-Based Superconductors
R.P. Day, G. Levy, M. Michiardi, B. Zwartsenberg, M. Zonno, F. Ji, E. Razzoli, F. Boschini, S. Chi, R. Liang, P.K. Das, I. Vobornik, J. Fujii, W.N. Hardy, D.A. Bonn, I.S. Elfimov, and A. Damascelli
Involved NFFA techniques:
ARPES and spin ARPES @ APE-LE, DFT
Our Research
Phys. Rev. Materials, 2(6), 065001, (2018)
Role of Spin-Orbit Coupling in the Electronic Structure of IrO2
P. K. Das, J. Sławińska, I. Vobornik, J. Fujii, A. Regoutz, J.M. Kahk, D.O. Scanlon, B.J. Morgan, C. McGuinness, E. Plekhanov, D. Di Sante, Y.-S. Huang, R.-S. Chen, G. Rossi, S. Picozzi, W.R. Branford, G. Panaccione, and D.J. Payne
Involved NFFA techniques:
ARPES and spin ARPES @ APE-LE, DFT
From our users
Nano Lett., 18, 5, 2751–2758, (2018)
Ferroelectric Control of the Spin Texture in GeTe
C. Rinaldi , S. Varotto, M. Asa, J. Sławińska, J. Fujii, G. Vinai, S. Cecchi, D. Di Sante, R. Calarco, I. Vobornik, G. Panaccione, S. Picozzi, R. Bertacco
Our Research
Phys. Rev. Lett., 119, 026403, (2017)
Three-Dimensional Electronic Structure of the Type-II Weyl Semimetal WTe 2
D. Di Sante, P. Kumar Das, C. Bigi, Z. Ergönenc, N. Gürtler, J. A. Krieger, T. Schmitt, M.N. Ali, G. Rossi, R. Thomale, C. Franchini, S. Picozzi, J. Fujii, V.N. Strocov, G. Sangiovanni, I. Vobornik, R.J. Cava, and G. Panaccione
Involved NFFA techniques:
ARPES and spin ARPES @ APE-LE, DFT
Our Research
Phys. Rev. B, 94, 241114, (2016)
Hidden spin polarization in nonmagnetic centrosymmetric BaNiS2 crystal: Signatures from first principles
J. Sławinska, A. Narayan and S. Picozzi
Involved NFFA technique:
DFT
From our users
Phys. Rev. B, 94, 235140, (2016)
Bulk and surface electronic structure of hexagonal structured PtBi2 studied by angle-resolved photoemission spectroscopy
Q. Yao, Y.P. Du, X.J. Yang, Y. Zheng, D.F. Xu, X.H. Niu, X.P. Shen, H.F. Yang, P. Dudin, T.K. Kim, M. Hoesch, I. Vobornik, Z.-A. Xu, X.G. Wan, D.L. Feng and D.W. Shen
Involved NFFA techniques:
ARPES and spin ARPES @ APE-LE, DFT
From our users
Phys. Rev. B, 94, 075141, (2016)
Electronic structure of the chiral helimagnet and 3d-intercalated transition metal dichalcogenide Cr1/3NbS2
N. Sirica, S.-K. Mo, F. Bondino, I. Pis, S. Nappini, P. Vilmercati, J. Yi, Z. Gai, P.C. Snijders, P.K. Das, I. Vobornik, N. Ghimire, M.R. Koehler, L. Li, D. Sapkota, D.S. Parker, D.G. Mandrus and N. Mannella
Involved NFFA techniques:
ARPES and spin ARPES @ APE-LE, DFT
From our users
Dalton Trans., 45, 134-143, (2015)
Surface induces different crystal structures in a room temperature switchable spin crossover compound
D. Gentili, F. Liscio, N. Demitri, B. Schäfer, F. Borgatti, P. Torelli, B. Gobaut, G. Panaccione, G. Rossi, A. Degli Esposti, M. Gazzano, S. Milita, I. Bergenti, G. Ruani, I. Šalitroš, M. Rubendi and M. Cavallini
Involved NFFA techniques:
DFT, XPS, XAS/XMCD @ APE-HE