Year: 2024
Type: article
Abstract: We compare the various chirality measures most widely used in the literature to quantify chiral symmetry in extended solids, i.e., the continuous chirality measure and the Hausdorff distance. By studying these functions in an algebraically tractable case, we can evaluate their strengths and weaknesses when applied to more complex crystals. Going beyond those classical calculations, we propose a different method to quantify the handedness of a crystal based on a pseudoscalar function, i.e., the helicity during a soft phonon mode driven displacive phase transition from an achiral structure. This quantity, borrowed from hydrodynamics, can be computed from the eigenvector carrying the system from the high-symmetry nonchiral phase to the low-symmetry chiral phase. Different model systems like ${\mathrm{K}}_{3}{\mathrm{NiO}}_{2}$, ${\mathrm{CsCuCl}}_{3}$, and ${\mathrm{MgTi}}_{2}{\mathrm{O}}_{4}$ are used as test cases where we show the superior interest of using helicity to quantify chirality in displacive chiral transitions together with the handedness distinction.
Institutions: University of Liège, Durham University, West Virginia University
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
Awards: G1326058316, G1453181110, G1471051345, Track 4: Advanced CI Coordination Ecosystem: Monitoring and Measurement Services, G2225238933, G2446136661, G279612081, G304792910, G3265821332, G3406661761, G353390944, G3562386289, G3699825815, G3898241218, G3927959030, G3993056153, Track 1: ACCESS Resource Allocations Marketplace and Platform Services (RAMPS), G4010157413, G434337789, G4406139312, G4478963120, G453120968, ACO: An Open CI Ecosystem to Advance Scientific Discovery (OpenCI), G4939776489, Track 3: COre National Ecosystem for CyberinfrasTructure (CONECT), G5098925467, G5212984984, G5367127336, G5418511742, APPLICATIONS OF NICKELATE PEROVSKITES FOR NEUROMORPHIC COMPUTING FROM ELECTRONIC STRUCTURE AND MACHINE LEARNING, G5464919783, G6025207788, G6121277264, G6247045938, G6473820372, G6965887028, G7291403024, G754761654, G7664062879, G8174472116, Track 2: Customized Multi-tier Assistance, Training, and Computational Help (MATCH) for End User ACCESS to CI, Topological Solitons in Antiferroics, G8710085283
OpenAlex ID: W4404747370