Publications

new Multiscale simulator for electronics and optoelectronics devices
G. Romano, G. Penazzi, M. Auf der Maur, F. Sacconi, M. Povolotskyi, A. Pecchia, A. Di Carlo
New frontiers in micro and nanophotonics, (23-26, April 2008)
Florence (Italy)
oral

TiberCAD: the new multiscale simulator for electronic and optoelectronic devices
G. Romano, G. Penazzi, M. Auf der Maur, F. Sacconi, M. Povolotskyi, A. Pecchia, A. Di Carlo
40th Electronic Group Meeting, (16-18, Jun 2008)
Otranto (Italy)
oral

A priori method for propensity rules for inelastic electron tunneling spectroscopy of single-molecule conduction
A. Gagliardi, G. C. Solomon, A. Pecchia, Th. Frauenheim, A. Di Carlo, N. S. Hush, J. Reimers
Physical Review B 75, pp. 174306 (2007)

Atomistic Modeling of Gate-All-Around Si-Nanowire Field Effect Transistors
A. Pecchia, L. Salamandra, L. Latessa, B. Aradi, T. Frauenheim, A. Di Carlo
IEEE Transaction on Electron Devices, pp. 3159 (2007)

Coupling of molecular vibrons with contact phonon reservoirs
G. Romano, A. Pecchia, A. Di Carlo
J. Phys. Cond. Matt. 19, pp. 215207 (2007)

DFT modeling of bulk-modulated carbon nanotube field-effect transistors
L. Latessa A. Pecchia A. Di Carlo
IEEE Transactions on Nanotechnology, 6, pp. 13 - 21 (2007/01)
carbon nanotubes;density functional theory;doping profiles;field effect transistors;Green's function methods;nanotube devices;SCF calculations;semiconductor device models;

Electronic and transport properties of silicon nanowires
F. Sacconi, M. P. Persson, M. Povolotskyi, L. Latessa, A. Pecchia, A. Gagliardi, A. Balint, T. Fraunheim and A. Di Carlo
Journal of Computational Electronics 6, pp. 329 (2007)
Proceedings

Heat dissipation and non-equilibrium phonon distributions in molecular devices
A. Pecchia, G. Romano, A. Gagliardi, Th. Frauenheim and A. Di Carlo
Journal of Computational Electronics 6, pp. 335-339 (2007)

Quasiparticle correction for electronic transport in molecular wires
Alessio Gagliardi, Thomas A. Niehaus, Thomas Frauenheim, Alessandro Pecchia and Aldo Di Carlo
Journal of Computational Electronics 6, pp. 345 (2007)
Proceedings

The gDFTB tool for molecular electronics
A. Pecchia, L. Latessa, A. Gagliardi, Th. Frauenheim, A. Di Carlo
Book: Molecular Nano Electronics: Analysis, Design and Simulation (Elsevier), pp. 205 (2007)

The Green
Jeffrey R. Reimers, Gemma C. Solomon, Alessio Gagliardi, Ante Bili, Noel S. Hush, Thomas Frauenheim, Aldo Di Carlo, Alessandro Pecchia
J. Phys. Chem. A 111, pp. 5692 (2007)

The simulation of molecular and organic devices: a critical review and look at future developments
P. Lugli, C. Erlen, A. Pecchia, F. Brunetti, L. Latessa, A. Bolognesi, G. C. Saba, G. Scarpa and A. Di Carlo
Applied Physics A: Materials Science & Processing 87, pp. 593 (2007)

Theory of heat dissipation in molecular electronics
A. Pecchia G. Romano A. Di Carlo
Physical Review B 75, pp. 35401 - 1 (2007)

Multiscale approach in the heat balance problems
G. Romano, M. Auf der Maur, M. Povolotskyi, F. Sacconi, E. Petrolati, A. Pecchia, A. Di Carlo
International summer school on advanced microelectronics, (24-29, Jun 2007)
Grenoble (France)
poster

Molecular origins of conduction channels observed in shot-noise measurements
Gemma C. Solomon Alessio Gagliardi Alessandro Pecchia Thomas Frauenheim Aldo Di Carlo Jeffrey R. Reimers Noel S. Hush
Nano Letters, 6, pp. 2431 - 2437 (2006)
Electric conductance;Shot noise;Wave interference;Wave transmission;

One-dimensional screening effects in bulk-modulated carbon nanotube transistors
L. Latessa, A. Pecchia, A. Di Carlo
J. Comp. Elect. 5, pp. 97 (2006)
Proceedings

The symmetry of single-molecule conduction
G.C. Solomon A. Gagliardi A. Pecchia T. Frauenheim A. Di Carlo J.R. Reimers N.S. Hush
Journal of Chemical Physics, 125, pp. 184702 - 1 (2006/11/14)
chemisorbed layers;electric admittance;electrical conductivity;electrodes;gold;Green's function methods;molecular electronics;organic compounds;

Understanding the inelastic electron-tunneling spectra of alkanedithiols on gold
G.C. Solomon A. Gagliardi A. Pecchia T. Frauenheim A. Di Carlo J.R. Reimers N.S. Hush
Journal of Chemical Physics, 124, pp. 94704 - 1 (2006/03/07)
density functional theory;Green's function methods;molecular configurations;molecular electronic states;organic compounds;tunnelling spectra;vibrational states;

Modelling of carbon nano tube-based devices: From nanoFETs to THz emitters
Aldo Di Carlo, Alessandro Pecchia, Eleonora Petrolati, Claudio Paoloni
SPIE - The International Society for Optical Engineering, 6328, pp. 632808 - (2006)
Proceedings;Green's function;Probability density function;Boundary conditions;Triodes;Nanotechnology;

Atomistic simulations of the electronic transport of organic nanostructures: electron-phonon and electron-electron interactions
A. Pecchia, A. Di Carlo, A. Gagliardi, Th. Niehaus, Th. Frauenheim,
J. Comp. Elect. 4, pp. 79 (2005)
density functional theory;electronic density of states;Green's function methods;molecular electronics;Poisson equation;tight-binding calculations;NEGF;phonons