74 citations · 431 across the 24 of their papers we have counts for
24 papers
Charge localization, frustration relief, and spin-orbit coupling in UO
Rolando Saniz, Gianguido Baldinozzi, Ine Arts +3
Research efforts on the low temperature magnetic order and electronic properties of UO have been inconclusive so far. Reinterpreting neutron scattering results, we use grou…
First-principles study of defects at grain boundaries in CuGaSe
R. Saniz, J. bekaert, B. Partoens +1
We present a first-principles computational study of cation-Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect…
Nature of the positron state in CdSe quantum dots
Wenqin Shi, Vincent Callewaert, Bernardo Barbiellini +11
Previous studies have shown that positron-annihilation spectroscopy is a highly sensitive probe of the electronic structure and surface composition of ligand-capped semiconductor Q…
First-principles study of CO and OH adsorption on In-doped ZnO surfaces
R. Saniz, N. Sarmadian, B. Partoens +6
We present a first-principles computational study of non-polar ZnO (100) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position o…
Crystalline topological states at a topological insulator junction
Christophe De Beule, Rolando Saniz, Bart Partoens
We consider an interface between two strong time-reversal invariant topological insulators having surface states with opposite spin chirality, or equivalently, opposite mirror Cher…
Exceeding the Shockley-Queisser limit within the detailed balance framework
Marnik Bercx, Rolando Saniz, Bart Partoens +1
The Shockley-Queisser limit is one of the most fundamental results in the field of photovoltaics. Based on the principle of detailed balance, it defines an upper limit for a single…