Publications

Density functional tight-binding for self-consistent computation of the transport properties of molecular electronic devices
A. Pecchia L. Latessa A. Di Carlo P. Lugli
Proceedings of the SPIE - The International Society for Optical Engineering, 5219, pp. 25 - 32 (2003/10/17)
ab initio calculations;density functional theory;Green's function methods;molecular electronics;Poisson equation;SCF calculations;tight-binding calculations;

Electronic properties of hybrid metal-discotic liquid crystal nanostructures
R.W. Kelsall A. Pecchia A. Bourlange B. Movaghar S.D. Evans B.J. Hickey N. Boden
Physica E, 17, pp. 654 - 8 (2003/04)
band structure;discotic liquid crystals;metallic thin films;nanocomposites;organic-inorganic hybrid materials;self-assembly;

Electronic transport properties of molecular devices
A. Pecchia L. Latessa A. Di Carlo P. Lugli T. Neihaus
Physica E, 19, pp. 139 - 44 (2003/07)
ab initio calculations;density functional theory;Green's function methods;molecular electronics;organic compounds;Poisson equation;tight-binding calculations;

Influence of the electron-phonon interactions on the transport properties at the molecular scale
A. Pecchia M. Gheorghe A. Di Carlo T.A. Niehaus R. Scholz T. Frauenheim P. Lugli
Proceedings of the SPIE - The International Society for Optical Engineering, 5219, pp. 109 - 16 (2003/10/17)
electron-phonon interactions;fluctuations;molecular dynamics method;molecular electronics;tunnelling;

Modulation of the electronic transport properties of carbon nanotubes with adsorbed molecules
A. Pecchia A. Gheorghe A. Di Carlo P. Lugli
Synthetic Metals, 138, pp. 89 - 93 (2003/06/02)
adsorbed layers;ballistic transport;carbon nanotubes;density functional theory;electrical conductivity;tight-binding calculations;

Role of thermal vibrations in molecular wire conduction
A. Pecchia M. Gheorghe A. Di Carlo P. Lugli T.A. Niehaus T. Frauenheim R. Scholz
Physical Review B (Condensed Matter and Materials Physics), 68, pp. 235321 - 1 (2003/12/15)
current fluctuations;electron-phonon interactions;metal-semiconductor-metal structures;molecular dynamics method;molecular electronics;organic semiconductors;phonon-phonon interactions;semiconductor quantum wires;tunnelling;

Schottky barrier height at an organic/metal junction: a first-principles study of PTCDA/X (X=Al, Ag) contacts
S. Picozzi A. Pecchia M. Gheorghe A. Di Carlo P. Lugli B. Delley M. Elstner
Physical Review B (Condensed Matter and Materials Physics), 68, pp. 195309 - 1 (2003/11/15)
ab initio calculations;aluminium;density functional theory;electronic density of states;Fermi level;organic semiconductors;rectification;Schottky barriers;semiconductor-metal boundaries;silver;surface energy;

Simulation of molecular electronics circuits
L. Latessa A. Pecchia A. Di Carlo P. Lugli
Proceedings of the 16th European Conference on Circuit Theory and Design, ECCTD'03, vol.3, pp. 41 - 4 (2003)
Green's function methods;molecular electronic states;simulation;tight-binding calculations;

Tailorable acceptor C_60-nB_n and donor C_60-mN_m pairs for molecular electronics
Rui-Hua Xie G.W. Bryant Jijun Zhao Jr. Smith A. Di Carlo A. Pecchia
Physical Review Letters, 90, pp. 206602 - 1 (2003/05/23)
fullerene compounds;molecular electronics;p-n junctions;rectifiers;transistors;

Charge-carrier mobilities in binary mixtures of discotic triphenylene derivatives as a function of temperature
B.R. Wegewijs L.D.A. Siebbeles N. Boden R.J. Bushby B. Movaghar O.R. Lozman Q. Liu A. Pecchia L.A. Mason
Physical Review B (Condensed Matter and Materials Physics), 65, pp. 245112 - 1 (2002/06/15)
discotic liquid crystals;HF calculations;high-frequency effects;hole mobility;organic compounds;voltammetry (chemical analysis);

Interactions of self-organised discotic liquid crystals with ultrathin metal films
A. Pecchia R.W. Kelsall B. Movaghar A. Bourlange S.D. Evans B.J. Hickey N. Boden
Materials Science and Technology, 18, pp. 729 - 32 (2002/07)
band structure;bonds (chemical);diffusion;discotic liquid crystals;gold;metallic thin films;

Photoconductive transients and one-dimensional charge carrier dynamics in discotic liquid crystals
A. Pecchia O.R. Lozman B. Movaghar N. Boden R.J. Bushby K.J. Donovan T. Kreouzis
Physical Review B (Condensed Matter and Materials Physics), 65, pp. 104204 - 1 (2002/03/01)
carrier relaxation time;discotic liquid crystals;hole mobility;hole traps;one-dimensional conductivity;organic semiconductors;photoconductivity;wide band gap semiconductors;

Electronic transport in self-organised molecular nanostructured devices
A. Pecchia B. Movaghar R.W. Kelsall A. Bourlange S.D. Evans B.J. Hickey N. Boden
VLSI Design, 13, pp. 305 - 9 (2001)
electron traps;impurity scattering;molecular beam epitaxial growth;molecular electronics;nanotechnology;

Conductivity of two-dimensional metal-organic hybrid films
A. Pecchia B. Movaghar R.W. Kelsall A. Bourlange S. Evans M. Howson T. Shen N. Boden
Microelectronic Engineering, 51-52, pp. 633 - 44 (2000/05)
electrical conductivity;liquid crystals;metallic epitaxial layers;multilayers;organic compounds;self-assembly;surface conductivity;surface scattering;

Electronic transport in self-organised molecular nanostructure devices
A. Pecchia B. Movaghar R.W. Kelsall A. Bourlange S. Evans B. Hickey N. Boden
7th International Workshop on Computational Electronics. Book of Abstracts. IWCE (Cat. No.00EX427), , pp. 104 - 5 (2000)
electrical conductivity;molecular electronics;nanotechnology;self-assembly;

Studies of two-wave mixing of very broad-spectrum laser light in BaTiO₃
A. Pecchia M. Laurito P. Apai M.B. Danailov
Journal of the Optical Society of America B (Optical Physics), 16, pp. 917 - 23 (1999/06)
barium compounds;coupled mode analysis;light diffraction;multiwave mixing;optical phase matching;photorefractive materials;

Broad spectrum two-wave mixing in BaTiO₃
M.B. Danailov A. Pecchia M. Laurito P. Apai
Conference on Lasers and Electro-Optics Europe - Technical Digest, , pp. 224 - (1998)
Crystals;Barium titanate;Photorefractive materials;Solid state lasers;Pumping (laser);Prisms;Optical phase conjugation;

Optimum signal polarization in two-wave mixing with incoherent erasure of the fanning process
M.B. Danailov M. Laurito A. Pecchia
Journal of Modern Optics, 45, pp. 2339 - 44 (1998/11)
barium compounds;light polarisation;multiwave mixing;photorefractive materials;