most citedOrigin of magnetism and quasiparticles properties in Cr-doped TiO

26 citations · 41 across the 5 of their papers we have counts for

collaborators

5 papers

physics.comp-ph2023★ 5 cited

On the effect of electronic stopping in molecular dynamics simulations of collision cascades in Gallium Arsenide

Johannes L. Teunissen, Thomas Jarrin, Nicolas Richard +6

Understanding the generation and evolution of defects induced in matter by ion irradiation is of fundamental importance to estimate the degradation of functional properties of mate…

physics.chem-ph2023

Nonlinear electronic stopping of negatively-charged particles in liquid water

Natalia E. Koval, Fabiana Da Pieve, Bin Gu +3

We present real-time time-dependent density-functional-theory calculations of the electronic stopping power for negative and positive projectiles (electrons, protons, antiprotons a…

cond-mat.str-el2013★ 4 cited

Real space Green's function approach to angle resolved resonant photoemission: spin polarization and circular dichroism in itinerant magnets

Fabiana Da Pieve, Peter Krueger

A first principles approach, based on the real space multiple scattering Green's function method, is presented for spin- and angle-resolved resonant photoemission from magnetic sur…

cond-mat.str-el2013★ 26 cited

Origin of magnetism and quasiparticles properties in Cr-doped TiO

F. Da Pieve, S. Di Matteo, T. Rangel +4

Combining LSDA+ and an analysis of superexchange interactions beyond DFT, we describe the magnetic ground states in rutile and anatase Cr-doped TiO. In parallel, we correct…

cond-mat.str-el2013★ 6 cited

First-principles calculations of spin and angle-resolved resonant photoemission spectra of Cr(110) surfaces at the 2 - 3 resonance

F. Da Pieve, P. Krüger

A first principles approach for spin and angle resolved resonant photoemission is developed within multiple scattering theory and applied to a Cr(110) surface at the 2-3 reso…