Electronic Materials
Division
Head:
Vincenzo
Fiorentini
Research
topics
Methods for ab initio calculations
on correlated materials
Complex oxides for
microelectronics applications
Low-dimesional correlated magnetic oxides
Structure (electronic & otherwise) of underdoped cuprate superconductors
Anomalous diffusion and
nucleation on metal surfaces
People
Vincenzo
Fiorentini, associate professor (personal
page,blog)
Giancarlo
Cappellini, associate professor (personal
page)
Alessio
Filippetti, visiting professor
Giorgia
M. Lopez, postdoc
Giuseppe Colizzi,
postdoc
Fabrizio Cossu, PhD student
Mauro Mantega, Laurea student
Pietro
Delugas, now post-doc at NXP/Philips Leuven, Belgium
Active
projects
PRIN
2005: Coexistence of metallicity and magnetism in superconducting oxides (dedicated site)
FIRB 2001 : Anomalous diffusion
on metal surfaces (dedicated site)
BdS 2006 : Multiferroic and correlated materials (dedicated site)
Recent
publications
P. Delugas, V. Fiorentini, A. Filippetti, and G. Pourtois:
Cation charge anomalies and high-$\kappa$ dielectric behavior in
DyScO3,
Phys. Rev. B., in print (2007)
A. Filippetti and V. Fiorentini:
Self-interaction-free density-functional band theory for magnetic cuprates,
J. Magn. Magnetic Mat., in print (2007).
A. Filippetti and V. Fiorentini:
Double-exchange driven ferromagnetic metal-paramagnetic insulator transition in Mn-doped CuO,
Phys. Rev. B 74, 220401(R) (2006).
V. Fiorentini and G. M. Lopez:
Comment on ‘‘Ab Initio Calculations to Model Anomalous Fluorine Behavior’’,
Phys. Rev. Lett. 96, 039601 (2006).
G. M. Lopez and V. Fiorentini:
Large fluorine-vacancy clusters in Si and their capture efficiency for self-interstitials,
Appl. Phys. Lett. 89, 092113 (2006).
P. Delugas, V. Fiorentini, and A. Filippetti :
Dielectric properties of rare-earth oxides : general trends from
theory, invited review paper in M. Fanciulli and G. Scarel
(eds.), Rare Earth Oxide Thin Films: Growth, Characterization,
and Applications, Topics Appl. Physics 106, 225-246
(Springer, Berlin 2006).
V. Fiorentini, P. Delugas, and A. Filippetti :
A theoretical view on the dielectric properties crystalline and
amorphous high-k materials and films, invited review paper
in Advanced Gate Stacks on High-Mobility
Semiconductors, edited by A. Dimoulas, E. Gusev, P. McIntyre, and
M. Heyns (Springer Series in Advanced Microelectronics,
Berlin, 2006).
A. Filippetti, V. Fiorentini, and G. M. Lopez :
Electronic Structure Of Defects In Dielectrics With Electronic
Correlation , invited paper in Physics and Technology
of High-k Dielectrics - IV, ECS Trans. 3 (Electrochemical
Society, Pennington 2006).
P.
Delugas, V. Fiorentini, and A.
Filippetti,
Dielectric
properties and long-wavelength optical
modes of the high-k
oxide LaAlO3,
Phys.
Rev. B 71, 134302 (2005)
G.
M. Lopez, V. Fiorentini, G. Impellizzeri, S. Mirabella,
and E.
Napolitani,
Fluorine
in Si: native-defect complexes and
suppression of
impurity diffusion,
Phys.
Rev. B 72, 045219 (2005)
A.
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).
E. Bonera, G. Scarel, M.
Fanciulli, P. Delugas, and V. Fiorentini,
Dielectric Properties of High-k
Oxides: Theory and Experiment for Lu2O3
Phys.
Rev. Lett. 94, 027602 (2005)
A.
Filippetti
and V. Fiorentini,
Coexistence
of ionic and metallic bonding in noble-metal
oxides,
Phys.
Rev. B 72, 035128 (2005)
G. Malloci, G. Mulas, G. Cappellini, V. Fiorentini, and I. Porceddu:
Theoretical
electron affinities of PAHs and electronic absorption
spectra of their mono-anions,
Astronomy&Astrophysics
432, 585-594 (2005)
P. Delugas and V. Fiorentini:
Dielectric
properties of two phases of lutetium
oxide,
Microelectr.
Reliabil. 45, 831-833 (2005)
G. Ciatto, F. d'Acapito, F. Boscherini,
S. Sanna, V. Fiorentini, A. Polimeni,
M. Capizzi, P. J. Klar, W. Stolz, and S. Mobilio,
Comparison
between experimental and theoretical determination
of
the local structure of the GaAs1-yNydilute
nitride alloy,
Phys.
Rev. B 71, 115210-(1-8) (2005)
L.
Romano, A. M. Piro, M. G. Grimaldi, G.
M. Lopez, and V. Fiorentini,
Influence
of point defects injection on the stability of
supersaturated Ga-Si solid solutions,
Phys.
Rev. B 71, 165201-(1-6) (2005)
P. Schirra, G. M. Lopez, and V.
Fiorentini
Complexes, clustering, and
native-defect-assisted diffusion of aluminum in silicon
Phys. Rev. B 70, 245201 (2004)
C. Melis. G. M. Lopez, and V.
Fiorentini,
Anomalous energetics and
defect-assisted diffusion of Ga in silicon
Appl. Phys. Lett. 85, 4902
(2004)
L. Marsella and V. Fiorentini
Structure and stability of
rare-earth and transition-metal oxides
Phys. Rev. B 69, 172103 (2004)
G. M. Lopez and V. Fiorentini
Structure, energetics, and
extrinsic levels of small self-interstitial clusters in silicon
Phys. Rev. B 69, 155206 (2004)
Collaborations
Matis
(Catania)
MDM
(Agrate)
Philips Research Leuven
IMEC
(Leuven)
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SLACS
