165 citations · 427 across the 12 of their papers we have counts for
12 papers
Exceptionally large room-temperature ferroelectric polarization in the novel PbNiO3 multiferroic oxide
X. F. Hao, A. Stroppa, S. Picozzi +2
We present a study based on several advanced First-Principles methods, of the recently synthesized PbNiO3 [J. Am. Chem. Soc 133, 16920 (2011)], a rhombohedral antiferromagnetic ins…
Ab-initio study of the relation between electric polarization and electric field gradients in ferroelectrics
J. N. Gonçalves, A. Stroppa, J. G. Correia +4
The hyperfine interaction between the quadrupole moment of atomic nuclei and the electric field gradient (EFG) provides information on the electronic charge distribution close to a…
Magneto-optical properties of (Ga,Mn)As: an ab--initio determination
A. Stroppa, S. Picozzi, A. Continenza +2
The magneto-optical properties of (Ga,Mn)As have been determined within density functional theory using the highly precise full-potential linear augmented plane wave (FLAPW) method…
Optical and magneto-optical properties of ferromagnetic full-Heusler films: experiments and first-principles calculations
F. Ricci, S. Picozzi, A. Continenza +5
We report a joint theoretical and experimental study focused on understanding the optical and magneto-optical properties of Co-based full-Heusler compounds. We show that magneto-op…
Accurate first principles detailed balance determination of Auger recombination and impact ionization rates in semiconductors
S. Picozzi, R. Asahi, C. B. Geller +1
The technologically important problem of predicting Auger recombination lifetimes in semiconductors is addressed by means of a fully first--principles formalism. The calculations e…
Impact ionization in GaAs: a screened exchange density functional approach
S. Picozzi, R. Asahi, C. B. Geller +2
Results are presented of a fully ab-initio calculation of impact ionization rates in GaAs within the density functional theory framework, using a screened-exchange formalism and th…