1.7k citations · 3.9k across the 62 of their papers we have counts for
63 papers
The decoupled DFT- method for defect excitation energies
Joshua Claes, Bart Partoens, Dirk Lamoen
The DFT- method is a band gap correction with GW precision at a DFT computational cost. The method was also extended to correct the gap between defect levels, allowing…
Unveiling the electronic structure of pseudo-tetragonal WO thin films
F. Mazzola, H. Hassani, D. Amoroso +11
WO is a binary 5d compound which has attracted remarkable attention due to the vast array of structural transitions that it undergoes in its bulk form. In the bulk, a wide rang…
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…
Enhanced superconductivity in few-layer TaS due to healing by oxygenation
J. Bekaert, E. Khestanova, D. G. Hopkinson +15
When approaching the atomically thin limit, defects and disorder play an increasingly important role in the properties of two-dimensional materials. Superconductivity is generally…
Three-dimensional electron-hole superfluidity in a superlattice close to room temperature
M. Van der Donck, S. Conti, A. Perali +4
Although there is strong theoretical and experimental evidence for electron-hole superfluidity in separated sheets of electrons and holes at low , extending superfluidity to hig…
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…