912 citations · 6.2k across the 144 of their papers we have counts for
144 papers
Interaction between point defects and vertical inversion domain walls in wurtzite AlN
Loris Naudin, Charles Paillard, Laurent Bellaiche +2
Alloyed aluminium nitride compounds constitute a promising class of ferroelectric materials due to their high remanent electric polarizations, large band gaps and structural compat…
Robust control over polar skyrmion bubble density with a combined optical and electrical approach
Lingyuan Gao, Laurent Bellaiche
Polar skyrmion bubbles are nanoscale ferroelectric domain configurations with swirling polarization textures, and often emerge in ferroelectric oxide systems. Owing to their inhomo…
Light-Driven Ferroic Switching Enables Reversible Control of Hydrogen Adsorption Thermodynamics
Xueqing Wan, Zhenlong Zhang, Charles Paillard +5
Reversible ultrafast switching of surface thermodynamics is highly desirable for hydrogen storage and catalysis yet remains elusive at the nanoscale. Here we demonstrate that photo…
Systematic comparison of approximations and functionals in first-principle calculations of aluminum-based III-V ferroelectric nitrides
Alejandro Mercado Tejerina, Peng Chen, Keisuke Yazawa +3
We revisit first-principles predictions of structural, ferroelectric, and electronic properties in aluminum-based III-V nitride alloys, focusing on Al1-xScxN and Al1-xBxN. Using de…
Unified definition of ferroelectricity
Wei Luo, Shihan Deng, Hongjun Xiang +1
Recent theoretical and experimental advances in quantum ferroelectrics suggest that ferroelectricity can also emerge in non-polar space group, highlighting the limitations of conve…
Uncovering Antipolar Ordering and Pressure-Tunable Phases in Hexagonal LaN
Atanu Paul, Laurent Bellaiche, Charles Paillard
We predict an antipolar instability in hexagonal LaN using first-principles density functional theory. Starting from a nonpolar hexagonal phase, we identify competing polar and ant…