2 papers
cond-mat.str-el2008
Ab-initio description of hole localization and Zhang-Rice singlets in one-dimensional doped cuprates
Alessio Filippetti, Vincenzo Fiorentini
We present the first ab-initio band-theory-based description of spin-compensated polarons (known as Zhang-Rice singlets) in a hole-doped cuprate, specifically one-dimensional Ca_{2…
cond-mat.mtrl-sci1998
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…