1 citations · 1 across the 3 of their papers we have counts for
12 papers
Mechanical coupling of polar topologies and oxygen octahedra rotations in PbTiO/SrTiO superlattices
Fernando Gómez-Ortiz, Louis Bastogne, Xu He +1
PbTiO/SrTiO artificial superlattices recently emerged as a prototypical platform for the emergence and study of polar topologies. While previous studies mainly focused on t…
Multimodal Topological Textures Arising from Coupled Structural Orders in SrTiO
Fernando Gómez-Ortiz, Louis Bastogne, Philippe Ghosez
Magnetic spin topological textures recently found their electrical counterparts in polar topologies emerging from the condensation of inhomogeneous polar atomic distortions. Here,…
Abinit 2025: New Capabilities for the Predictive Modeling of Solids and Nanomaterials
Matthieu J. Verstraete, Joao Abreu, Guillaume E. Allemand +71
Abinit is a widely used scientific software package implementing density functional theory and many related functionalities for excited states and response properties. This paper p…
Ferroelectric Properties and Topological Polar Textures of PbTiO from a Second-Principles Open-Source Interatomic Potential
Louis Bastogne, Philippe Ghosez
We introduce an open-source, fully atomistic second-principles interatomic potential for lead titanate (PbTiO3), a benchmark ferroelectric material known for its strong polarizatio…
Role of long-range dipolar interactions in the simulation of the properties of polar crystals using effective atomic potentials
Miao Yu, Fernando Gómez-Ortiz, Louis Bastogne +2
Driven by novel approaches and computational techniques, second-principles atomic potentials are nowadays at the forefront of computational materials science, enabling large-scale…
Strain dependence of the Bloch domain component in 180 domains in bulk PbTiO from first-principles
Stephen Chege, Louis Bastogne, Fernando Gómez-Ortiz +4
We investigate the emergence of Bloch-type polarization components in 180 ferroelectric domain walls in bulk PbTiO under varying mechanical boundary conditions, using…