88 citations · 291 across the 8 of their papers we have counts for
8 papers
Structures and Electronic States of Nickel Rich Oxides for Lithium Ion Batteries
Saleem Yousuf, Md Maruf Mridha, Rita Magri
A new superstructure of layered pristine LiNiO2 (LNO) was obtained optimizing a large supercell of the 166 space group, the one observed experimentally by XRD, and relaxing both ce…
Attractive interactions between like-oriented surface steps from an ab initio perspective: Role of the elastic and electrostatic contributions
Giulia Righi, Anna Franchini, Rita Magri
At low temperatures the interactions between like-oriented steps on a surface are believed to be dominated by elastic repulsions. This belief is based on the results of the classic…
Band folding, strain, confinement, and surface relaxation effects on the electronic structure of GaAs and GaP: from bulk to nanowires
Claudia Lange dos Santos, Paulo Piquini, Rita Magri
In this paper we show how to link the electronic structures of two III-V systems, one a direct gap material, GaAs, and the other an indirect gap material, GaP, from their bulks rig…
Silicon Nanocrystallites in SiO2 Matrix: The Role of Disorder and Size
Roberto Guerra, Ivan Marri, Rita Magri +4
We compare, through first-principles pseudopotential calculations, the structural, electronic and optical properties of different size silicon nanoclusters embedded in a SiO2 cryst…
Adsorption of Indium on a InAs wetting layer deposited on the GaAs(001) surface
Marcello Rosini, Rita Magri, Peter Kratzer
In this work we perform a first-principles study of the adsorption properties of an In adatom deposited on 1.75 monolayers (ML) InAs, forming a wetting layer on GaAs with th…
Electronic structure of self-assembled InAs/InP quantum dots: A Comparison with self-assembled InAs/GaAs quantum dots
Ming Gong, Kaimin Duan, Chuan-Feng Li +3
We investigate the electronic structure of the InAs/InP quantum dots using an atomistic pseudopotential method and compare them to those of the InAs/GaAs QDs. We show that even tho…