|
|
2004
| 1. |
P. Alippi, P.
Ruggerone, L. Colombo: Neutral
boron-interstitial clusters in crystalline silicon,
Phys. Rev. B 69, 125205 (2004). |
| 2. |
G. Cappellini, G.
Satta, V. Olevano, L. Reining: Ab-initio
Calculations for the Electronic Spectra of Cubic and Hexagonal Boron Nitride, Proceedings of the
Mat.Rec. Soc. Fall Meeting 2004 , Boston, U.S.A.,
29/11-03/12/04, in print. |
| 3. |
G. Cappellini, G.
Satta, M. Palummo, G. Onida: Electronic and Optical Properties of SiGe
Alloys within First-Principles Schemes, Proceedings of the
Mat.Rec. Soc. Fall Meeting 2004 , Boston, U.S.A.,29/11-03/12/04,
in print.
|
| 4. |
G. Cappellini, H.-Ch.
Weissker, D. De Salvador, J. Furthmueller, F. Bechstedt, G. Satta,
F. Casula,
L. Colombo: Classical
versus first principles structural relaxation: calculated electronic
excitations and optical properties of Ge nanocrystals embedded in a SiC matrix,
Proceedings of the
Mat.Rec. Soc. Fall Meeting 2004 , Boston, U.S.A.,
29/11-03/12/04, in press. |
| 5. |
M. Coraddu, R.
Tonelli, F. Meloni and G. Mezzorani: Weak
insensitivity to initial conditions at the edge of chaos in the
logistic map, Physica A340/1-3, 234 (2004).
|
| 6. |
D.
Donadio, L. Colombo, G. Benedek: Elastic
moduli of nanostructured carbon films, Phys. Rev. B 70, 195419 (2004).
|
| 7. |
M. Lissia, M. Coraddu
and R. Tonelli: What Entropy at the
Edge of Chaos, in Proceedings of NEXT
2004, Complexity, Metastability and Nonextensivity,
Erice 20-26
July 2004.
|
| 8. |
G. M.
Lopez and V. Fiorentini: Structure, stability, and
extrinsic levels of small
self-interstitials
clusters in Si, Phys. Rev.
B 69,
155206-(1-8) (2004).
|
| 9. |
G. Lulli, E.
Albertazzi, M. Bianconi, A . Satta, S. Balboni, L. Colombo, Interpretation of ion channeling spectra in
ion implanted Si with models of structurally relaxed point
defects and clusters, Phys. Rev. B 69, 165216 (2004).
|
| 10. |
G. Malloci, G. Cappellini, G.
Mulas, G. Satta: Quasiparticle effects and optical
absorption in small fullerene-like GaP clusters, Phys. Rev. B 70, 205429 (2004).
|
| 11. |
G. Malloci, G.
Cappellini, G. Mulas, G. Satta: Electronic excitations of stable
fullerene-like GaP clusters, Virtual Proceedings
of the Mat.Rec. Soc. Fall Meeting 2004 ,Boston, U.S.A.,
29/11-03/12/04, in print.
|
| 12. |
G. Malloci, G. Mulas,
G. Cappellini, G. Satta, I. Porceddu, P. Benvenuti: Rotational
Profiles of molecular absorption bands in astrophysically relevant conditions: ab initio approach,
Computational Materials Science 30, 92 (2004).
|
| 13. |
L. Marsella and V. Fiorentini: Structure
and stability of
rare-earth and transition-metal oxides,
Phys. Rev. B 69,
172103-(1-4) (2004).
|
| 14. |
A.
Mattoni, L. Colombo, and F. Cleri: Atomistic
study of the interaction between a microcrack and a hard inclusion in
beta-SiC, Phys. Rev. B 70,
094108 (2004).
|
| 15. |
A. Mattoni, L.
Colombo: Boron ripening during
solid-phase epitaxy of amorphous silicon, Phys. Rev. B 69, 045204 (2004).
|
| 16. |
C. Melis, G. M. Lopez and V.
Fiorentini: Anomalous energetics and
defect-assisted diffusion of Ga in silicon,
Appl. Phys. Lett. 85,
4902-4904 (2004).
|
| 17. |
A.
Polimeni, G. Baldassarri, F. Masia, A. Frova, M. Capizzi, S.
Sanna, V. Fiorentini, P. J. Klar, and W. Stolz: Tuning of the electron
effective mass and exciton wavefunction size in GaAs(1-x)N(x),
Physica E 21,
747-751 (2004). |
| 18. |
P. Piseri, E.
Barborini, M. Marino, P. Milani, C. Lenardi, L. Zoppi, L. Colombo: Hydrogen uptake in cluster-assembled carbon
thin films: experiment and computer simulation,
J. Phys. Chem. B 108, 5157
(2004). |
| 19. |
G. Profeta, S. Picozzi, A. Continenza and C. Franchini: First stage Mn adsorption on clean
Ge(111) surface, Phys. Rev. B 70, 155307 (2004).
|
| 20. |
M.
Salvador, J. M. Perlado, A. Mattoni, F. Bernardini, and L. Colombo: Defect energetics of beta-SiC using a new
Tight Binding Molecular Dynamics Model, J. Nucl. Mat. 329-333, 1219 (2004).
|
| 21. |
A.
Sanna, C. Franchini, S. Massidda and A. Gauzzi: Effect of electronic correlations on the
ground
state properties and on the pressure-induced metal-insulator transition
in BaVS_3,
Phys. Rev. B 70, 235102 (2004). |
| 22. |
S. Sanna and V. Fiorentini: Lattice constant, effective mass, and gap recovery in hydrogenated GaAsN,
Phys. Rev. B 69, 125208-(1-6) (2004).
|
| 23. |
G. Satta, G. Cappellini, V. Olevano, L. Reining: Many-body Effects in the Electronic Spectra of cubic
Boron Nitride, Phys. Rev. B 70, 195212 (2004).
|
| 24. |
P. Schirra, G. M. Lopez and V. Fiorentini: Complexes, clustering, and native-defect assisted diffusion
of aluminum in silicon, Phys. Rev. B 70, 245201-(1-7) (2004).
|
| 25. |
M. Tosolini, L. Colombo, M. Peressi: Atomic-scale model of c-Si/a-Si:H interfaces, Phys. Rev. B 69,
075301 (2004).
|
26.
|
N. Lampis, C.
Franchini, G.,
A.
Geddo-Lehmann, and S. Massidda, Electronic
structure of PbFe1/2Ta1/2O3: Crystallographic ordering
and
magnetic
properties. Phys.
Rev. B 69, 064412 (2004) |
27.
|
G. A.
Ummarino, R. S. Gonnelli, S. Massidda and A. Bianconi ; Two-band Eliashberg equations and the
experimental Tc of
the
diboride ; Physica
C 407, 121-127 (2004). |
2005
| 1. |
M.
Bianconi, E. Albertazzi, S. Balboni, L. Colombo, G. Lulli, A. Satta: Channeling characterization of defects in
silicon: an atomistic approach, Nucl. Instr. and
Meth. B 230, 185 (2005).
|
| 2. |
M.
Bogana, L. Ravagnan, C.S. Casari, A. Zivelonghi, A. Baserga, A. Li Bassi, C.E. Bottani,
S. Vinati, E. Salis, P. Piseri, E. Barborini, L. Colombo, P. Milani, Leaving the fullerene road: presence and
stability of sp chains in sp2 carbon clusters and
cluster-assembled solids, New J. Phys. 7, 81 (2005).
|
| 3. |
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-(1-4) (2005).
|
| 4. |
G.
Cappellini, H.-Ch. Weissker, D. De Salvador, J. Furthmueller, F. Bechstedt, G. Satta,
F. Casula, L. Colombo: Structural
relaxation effects
on the electronic excitations and optical properties of Ge nanocrystals embedded in a SiC matrix,
J. Phys. Cond. Mat. 17, 643 (2005).
|
| 5. |
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
GaAs(1-y)N(y) dilute nitride alloy,
Phys. Rev. B 71,
115210-(1-8) (2005).
|
| 6. |
M.
Cogoni, B.P. Uberuaga, A.F. Voter, L. Colombo, Diffusion of small self-interstitial
clusters in silicon: temperature-accelerated tight-binding molecular dynamics simulations,
Phys. Rev. B 71, 121203(R) (2005).
|
| 7. |
L.
Colombo: Molecular Dynamics,
in "Encyclopedia of Condensed Matter Physics", Edited by
F. Bassani, J. Liedl, P. Wyder (Elsevier, 2005).
|
| 8. |
P. Delugas and V. Fiorentini: Dielectric
properties of
two phases of lutetium oxide, Microelectr. Reliabil. 45,
831-833 (2005).
|
| 9. |
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).
|
| 10. |
A. Filippetti and V. Fiorentini: Coexistence
of ionic and
metallic bonding in noble-metal oxides,
Phys. Rev. B 72,
in print (2005).
|
| 11. |
V.
Fiorentini and G. M. Lopez: Energetics
of a complex
affecting F behavior in Si, Phys. Rev. Lett. 94,
(Comment) in print (2005).
|
| 12. |
A.
Floris, G. Profeta, N. Lathiotakis, M. Lueders, M. Marques, C. Franchini, E.K.U.
Gross, A. Continenza, S. Massidda: Superconducting properties of MgB_2 from
first principles, Phys. Rev. Lett. 94, 037004 (2005). Selected for the
February 1, 2005 issue of Virtual Journal of Applications of Superconductivity.
|
| 13. |
C.
Franchini, V. Bayer, R. Podloucky, J. Paier, and G. Kresse: Density functional theory study of MnO by
an hybrid functional approach, accepted for
publication in Phys. Rev. B (2005).
|
| 14. |
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 71, in
print (2005). |
| 15. |
G.
Lulli, E. Albertazzi, M. Bianconi, A. Satta, S. Balboni, L.
Colombo, A. Uguzzoni: Interpretation of heavily damaged ion
implanted Si by atomistic simulation of Rutherford Backscattering
channeling spectra, Nucl. Instr. and
Meth. B 230, 613 (2005). |
| 16. |
A. Magistrato, K.
Spiegel, A. Vargiu, P. Ruggerone, P. Carloni: New Pt-based drugs, J. Phys. Chem.
B, in press. |
| 17. |
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). |
| 18. |
A. Mattoni, L. Colombo, and F. Cleri: Crack-tip
stress shielding by a hard fiber in beta- SiC: an atomistic study,
Comp. Phys. Comm., in press (2005).
|
| 19. |
S. Meloni, L. Ferraro, A. Federico, M. Rosati, A.
Mattoni, and L.
Colombo: Computational Materials
Science application programming interface (CMSapi): a tool for
developing applications for atomistic simulations, Comp. Phys.
Comm., in press (2005).
|
| 20. |
M.
Volpe, G. Zollo, L. Colombo: Structural,
electronic, and energetic properties
of self-interstitial clusters in GaAs by tight-binding molecular dynamics, Phys. Rev. B 71, 075207 (2005).
|
| 21. |
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 solution, Phys. Rev.
B 71, 165201-(1-6)
(2005). |
| 22. |
A.
Satta, E. Albertazzi, M. Bianconi, G. Lulli, S. Balboni, L. Colombo: Atomistic simulation of ion channeling in
heavily doped Si:As, Nucl. Instr. and
Meth. B 230, 112 (2005).
|
| 23. |
R. Tonelli, M. Lissia
and M. Coraddu
Non extensive entropies and weak sensitivity at the
edge of chaos ,
AIP Conference Proceedings - Modeling Cooperative Behavior in the
Social Sciences, proceedings of 8th
Granada Seminar on Computational and Statistical Physics, 2005
New-York. ,
(2005). |
| 24. |
R.
Tonelli, G. Mezzorani, F. Meloni, M. Lissia and M. Coraddu Entropy Production and Pesin Identity at
the onset of Chaos ,
Prog. Theor. Phys. 115 , No
1. Jan (2006).
|
| 25. |
R.
Tonelli Convergence to the Critical Attractor at
Infinite and Tangent Bifurcation Points ,
Int. J. of Bifurcation and Chaos ,
Jul
(2006).
|
| 26. |
R.
Tonelli and M. Coraddu Numerical Study of the
Oscillatory Convergence to the Attractor at the Edge of Chaos ,
accepted for publication in European Physical Journal B (2006).
|
| 27. |
R.
Tonelli M. Lissia and M. Coraddu Statistical descriptions of nonlinear
systems at the onset of chaos ,
accepted for publication in European Physical Journal B (2006).
|
28.
|
M.
Lüders, M.A.L.
Marques,
N.N. Lathiotakis, A. Floris, G. Profeta, L. Fast, A.
Continenza, S. Massidda, E.K.U. Gross; Ab -initio theory of superconductivity.
I.
Density functional
formalism and approximate functionals; Phys.
Rev. B 72, 024545 (2005).
|
29.
|
M.A.L.
Marques, M. Lüders, N.N.
Lathiotakis,
G. Profeta, A. Floris, L. Fast, A. Continenza,
E.K.U. Gross, S. Massidda; Ab
-initio theory of
superconductivity. II.
Application
to elemental metals; Phys.
Rev. B 72, 024546 (2005).
|
30.
|
C.
Franchini, A. Sanna, S. Massidda, A. Gauzzi, Chemical pressure
induced modifcations on the magnetic and
electronic properties of Ba1-x
Srx VS3 ;
Europhys.
Lett., 71, 952 (2005). |
31.
|
G. Profeta, C.
Franchini, N.N. Lathiotakis,
A. Floris, M.A.L. Marques, M. Lüders, S.
Massidda, E.K.U. Gross, A.
Continenza; First-principles theory
of superconductivity in lithium and aluminum under extreme
pressure; Phys.
Rev. Lett. 96, 047003 (2006) |
|
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SLACS 