Publications

Microscopic description of molecular devices,
A. Di Carlo, A. Pecchia,
Proceedings of Fermi School in Physics From Nanostructures to Nanosensing Applications, A. D'Amico, G. Balestrino and A. Paoletti Eds., Elsevier and SIF dist., (2005)
density functional theory;electronic density of states;Green's function methods;molecular electronics;Poisson equation;tight-binding calculations

Negative quantum capacitance of gated carbon nanotubes
L. Latessa A. Pecchia A. Di Carlo P. Lugli
Physical Review B (Condensed Matter and Materials Physics), 72, pp. 35455 - 1 (2005/07/15)
capacitance;carbon nanotubes;carrier density;density functional theory;

Quantum Capacitance Effects in Carbon Nanotube Field-Effect Devices
L.Latessa, A. Pecchia, A. Di Carlo,
J. Comp. Elect. 4, pp. 51 (2005)
capacitance;carbon nanotubes;carrier density;density functional theory;

Tight-binding DFT for molecular electronics (gDFTB)
A. Di Carlo A. Pecchia L. Latessa T. Frauenheim G. Seifert
in "Introducing molecular electronics", G. Cuniberti, G. Fagas, K.Richter - Springer, Chap. 5, pp. 153 - 184 (2005)
density functional theory;electronic density of states;Green's function methods;molecular electronics;Poisson equation;tight-binding calculations;

Vibrational effects in the linear conductance of carbon nanotubes
M. Gheorghe R. Gutierrez N. Ranjan A. Pecchia A. Di Carlo G. Cuniberti
Europhysics Letters, 71, pp. 438 - 44 (2005/08/01)
Anderson model;carbon nanotubes;density functional theory;electric admittance;fluctuations;molecular dynamics method;phonons;

Atomistic simulation of the electronic transport in organic nanostructures: electron-phonon and electron-electron interactions
A. Pecchia A. Gagliardi A. Di Carlo T. Niehaus T. Frauenheim P. Lugli
2004 10th International Workshop on Computational Electronics (IEEE Cat. No.04EX915), , pp. 104 - 5 (2004)
density functional theory;electron-electron interactions;electron-phonon interactions;Green's function methods;nanostructured materials;organic semiconductors;

Atomistic Theory of Transport in Organic and Inorganic Nanostructures
A. Pecchia and A. Di Carlo
Report on Progress in Physics, 67, pp. 1497 - 1561 (2004)

Electron-phonon scattering in molecular wires
A. Pecchia A. Gagliardi A. Di Carlo T. Frauenheim P. Lugli
2004 4th IEEE Conference on Nanotechnology (IEEE Cat. No.04TH8757), , pp. 512 - 14 (2004)
density functional theory;electron-phonon interactions;gold;Green's function methods;molecular electronics;perturbation theory;sandwich structures;tunnelling;

Electronic transport in molecular devices: the role of coherent and incoherent electron-phonon scattering
P. Lugli A. Pecchia M. Gheorghe L. Latessa A. Di Carlo
Semiconductor Science and Technology, 19, pp. 357 - 61 (2004/04)
electron-phonon interactions;gold;Green's function methods;molecular electronics;organic compounds;spin Hamiltonians;

In-plane resistance of an ultra thin gold film: Influence of a copper phthalocyanine overlayer
A. Bourlange B.J. Hickey S.D. Evans A. Pecchia B. Movaghar R.W. Kelsall N. Boden
Molecular Crystals and Liquid Crystals, 413, pp. 812217-902226 (2004)
Gold;Metallic films;Copper compounds;Substrates;Electric resistance;Electronic properties;

Incoherent electron-phonon scattering in octanethiols
A. Pecchia A. Di Carlo A. Gagliardi S. Sanna T. Frauenheim R. Gutierrez
Nano Letters, 4, pp. 2109 - 14 (2004/11)
ab initio calculations;density functional theory;electrical contacts;electron-phonon interactions;gold;Green's function methods;molecular electronics;organic compounds;tunnelling;vibrational modes;

Organic/metal interfaces: an ab initio study of their structural and electronic properties
S. Picozzi A. Pecchia M. Gheorghe A. Di Carlo P. Lugli B. Delley M. Elstner
Surface Science, 566-568, pp. 628 - 32 (2004/09/20)
ab initio calculations;adsorption;aluminium;binding energy;density functional theory;electronic density of states;interface structure;organic compounds;

Quantum capacitance effects in carbon nanotube field-effect devices
Luca Latessa Alessandro Pecchia Aldo Di Carlo Paolo Lugli
2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts, , pp. 73 - 74 (2004)
Field effect transistors;Quantum theory;Capacitance;Nanostructured materials;MOSFET devices;Transport properties;Poisson distribution;Dielectric devices;Green's function;

Quantum capacitance effects in carbon nanotube field-effect devices
L. Latessa A. Pecchia A. Di Carlo P. Lugli
2004 10th International Workshop on Computational Electronics (IEEE Cat. No.04EX915), , pp. 73 - 4 (2004)
ab initio calculations;capacitance;carbon nanotubes;field effect transistors;Green's function methods;MOSFET circuits;quantum theory;

Simulation of carbon nanotube field-effect devices
Luca Latessa Alessandro Pecchia Aldo Di Carlo Giuseppe Scarpa Paolo Lugli
2004 4th IEEE Conference on Nanotechnology, , pp. 10 - 12 (2004)
Carbon nanotubes;Green's function;Electrostatics;MOSFET devices;Quantum theory;Capacitance;Band structure;Hamiltonians;Matrix algebra;Computer simulation;

Simulation of carbon nanotube field-effect devices
L. Latessa A. Pecchia A. Di Carlo G. Scarpa P. Lugli
2004 4th IEEE Conference on Nanotechnology (IEEE Cat. No.04TH8757), , pp. 10 - 12 (2004)
ab initio calculations;carbon nanotubes;density functional theory;Green's function methods;MOSFET;nanotube devices;Poisson equation;semiconductor device models;semiconductor materials;tight-binding calculations;

The influence of thermal fluctuations on the electronic transport of alkeno-thiolates
A. Pecchia M. Gheorghe L. Latessa A. Di Carlo P. Lugli
IEEE Transactions on Nanotechnology, 3, pp. 353 - 7 (2004/09)
bonds (chemical);density functional theory;Fermi level;gold;molecular electronics;monolayers;organic compounds;phonons;self-assembly;tight-binding calculations;tunnelling;

The simulation of molecular and organic devices: A critical review and a look at future development
P. Lugli G. Csaba C. Erlen S. Harret G. Scarpa A. Di Carlo A. Pecchia L. Latessa A. Bolognesi
2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts, , pp. 100 - 101 (2004)
Field effect transistors;Grain boundaries;Probability density function;Green's function;Electric fields;Electron tunneling;Boundary conditions;Electric currents;Phonons;Computer simulation;

The simulation of molecular and organic devices: a critical review and a look at future development
P. Lugli G. Csaba C. Erlen S. Harrer G. Scarpa A. Di Carlo A. Pecchia L. Latessa A. Bolognesi
2004 10th International Workshop on Computational Electronics (IEEE Cat. No.04EX915), , pp. 100 - 1 (2004)
circuit simulation;molecular electronics;organic semiconductors;

Charge carrier mobility in highly ordered smectic and discotic mesophases
A. Pecchia L. Siebbeles B. Movaghar
Proceedings of the SPIE - The International Society for Optical Engineering, 4991, pp. 253 - 73 (2003)
carrier mobility;discotic liquid crystals;hopping conduction;organic compounds;polarons;smectic liquid crystals;