5 papers
The W center in self-implanted silicon is the self-interstitial cluster I_3
G. M. Lopez, V. Fiorentini
We identify the W center in self-implanted crystalline Si with the three-membered self-interstitial cluster I_3 on the basis of first-principles density-functional-theory calculati…
Extrinsic levels, diffusion, and unusual incorporation mechanism of lithium in GaN
Fabio Bernardini, Vincenzo Fiorentini
Results of a first-principles study of the Li impurity in GaN are presented. We find Li is a channel interstitial, with an onset for diffusion at T 600 K. Above this temperat…
Effects of macroscopic-polarization built-in electrostatic fields in III-V nitrides multi-quantum-wells
V. Fiorentini, F. Bernardini, F. Della Sala +2
Huge built-in electric fields have been predicted to exist in wurtzite III-V nitrides thin films and multilayers. Such fields originate from heterointerface discontinuities of the…
Faceting and stress transfer in the missing-row reconstruction of Ir (110)
Alessio Filippetti, Vincenzo Fiorentini
We present ab initio total energy and stress calculations for the unreconstructed and (2x1)-missing-row reconstructed Ir (110) and Rh (110) surfaces. We use a model based on ab ini…
Polarization fields in nitride nanostructures: theory and practical implications
Fabio Bernardini, Vincenzo Fiorentini
Huge built-in electric fields are predicted to exist in wurtzite III-V nitrides thin films and multilayers. Such fields originate from heterointerface discontinuities of the macros…