activity
19992023
most citedAdsorption of H2O, NH3, CO, NO2, and NO on graphene: A first-principles study

1.7k citations · 2.6k across the 20 of their papers we have counts for

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Showing 2018Show all

6 papers · 1 filter

cond-mat.mes-hall2018

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…

cond-mat.mes-hall2018

The Anomalous Hall Effect in Magnetic Topological Insulators

Amir Sabzalipour, Bart Partoens

The anomalous Hall effect (AHE) is studied on the surface of a 3D magnetic topological insulator. By applying a modified semi-classical framework, all three contributions to the AH…

cond-mat.mtrl-sci2018

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…

cond-mat.mes-hall2018

Tuning the electronic properties of gated multilayer phosphorene: A self-consistent tight-binding study

L. L. Li, B. Partoens, F. M. Peeters

By taking account of the electric-field-induced charge screening, a self-consistent calculation within the framework of the tight-binding approach is employed to obtain the electro…

cond-mat.mes-hall2018

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…

cond-mat.supr-con2018★ 36 cited

Advanced first-principles theory of superconductivity including both lattice vibrations and spin fluctuations: The case of FeB

Jonas Bekaert, Alex Aperis, Bart Partoens +2

We present an advanced method to study spin fluctuations in superconductors quantitatively, and entirely from first principles. This method can be generally applied to materials wh…