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Meeting MS&T24: Materials Science & Technology
Symposium Mesoscale Phenomena in Functional Polycrystals and Nanostructures
Presentation Title Exploring Barium Titanate: Theoretical Insights and Topological Phenomena
Author(s) Florian Mayer, Mauro A. P. Goncalves, Marek Pasciak, Jiri Hlinka
On-Site Speaker (Planned) Florian Mayer
Abstract Scope Barium titanate (BT) remains one of the most extensively studied ferroelectric materials, known for its exceptional properties in a variety of applications. This presentation focuses on the theoretical description of this material using effective Hamiltonians, with special attention given to parameterization through density functional theory and the inclusion of anharmonic couplings. The methodology is then applied to delve into the fascinating realm of topological objects. Notably, recent theoretical work by Gonçalves, Paściak, and Hlinka has unveiled the existence of antiskyrmions in rhombohedral BT, opening up a new field of research in this well-examined compound. This talk will continue this study by first examining the emergence of these objects at low temperatures. It will encompass discussions on symmetry considerations, pertinent energy factors influencing stability, and local lattice effects. Following this, the study will extend to finite temperatures, exploring their thermal stability. Furthermore, other exotic topological objects in BT will be showcased.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Phase Field Analysis of Temperature-Dependent Grain Growth in Polycrystalline Alloys Embedded with Secondary Particles
Berry Phase Polarization Calculation of Carbon Nanotubes: Toward Non-Destructive Testing and Monitoring
Carbon, Coal and Graphite: A Simulation Approach
D-13: Computer Simulation as a Tool to Optimize Electronic Conduction
D-14: Modeling Domain Wall Dynamics in Polydomain Ferroelectric BaTiO3
D-15: Structural Optimization of Transport Properties in Artificial Interfacial Solids for High ZT Thermoelectrics
D-16: Ultra-Conducting Copper Graphene Composites from Coal
Electro-Optics in Ferroelectrics: Ab-Initio Insights
Exploring Barium Titanate: Theoretical Insights and Topological Phenomena
Exploring the Spatial Projection of Thermal Conductivity and Heat Transport in Materials
Ferroelectrics for Emergent Silicon-Integrated Optical Computing
Grain Boundary Chemistry and Electrical Potentials in Electronic Oxides
High-Throughput Approach for Predicting Optical Properties of Crystals
Intergranular Chemistry and Sintering of Metal Oxide Particle Powders
Metal-Graphene Interactions for Enhanced Electronic Conductivity in FCC Metals.
Microstructural Characterization of Artificial Interfacial Solids for High ZT Thermoelectrics
Nanoscale Flexoelectric Control of Tribology in Ferroelectrics
Permissible Domain Walls in Monoclinic Ferroelectric Phases
Predicting Failure via Grain Boundary Rupture Using a Stochastic FEM-based Approach
Vapor Phase Grown Metal Oxide Nanoparticles in Aqueous Environments: Structure Formation, Transformation Behaviour, and Reactivity

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