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F. Gómez-Ortiz

Publications and source records attributed to F. Gómez-Ortiz.

2 recordsLinked to original sources

Chirality Cannot Be Ferroic in Enantiomorphic Space-Groups

With growing interest in structural chirality in periodic solids, it has been suggested that chirality might constitute a new ferroic order parameter. In this work, we demonstrate, by means of a formal group-theoretical proof and a systematic group-subgroup analysis, that achiral-to-chiral transitions that produce either member of an enantiomorphic pair cannot be driven by a Brillouin-zone-center ($Γ$-point) instability from a common achiral parent. We further substantiate this result by explicitly showing that none of the achiral parent space groups that admit symmetry-chiral phonon eigenvectors host them at the zone center. Given that a primary ferroic order parameter must, among other requirements, transform according to a zone-center irreducible representation, we conclude that phase transitions leading to enantiomorphic space groups cannot be classified as primary ferroic transitions. This predicts that any critical enhancement of fluctuations must occur at finite-$q$ rather than as a divergence of a uniform macroscopic susceptibility.

cond-mat.mtrl-sci↗

Structural Chirality and Natural Optical Activity across the $α$-to-$β$ Phase Transition in SiO$_2$ and AlPO$_4$ from first-principles

Natural optical activity (NOA), the ability of a material to rotate the plane of polarized light, has traditionally been associated with structural chirality. However, this relationship has often been oversimplified, leading to conceptual misunderstandings, particularly when attempts are made to directly correlate structural handedness with optical rotatory power. In reality, the relationship between chirality and NOA is more nuanced: optical activity can arise in both chiral and achiral crystal structures, and the sign of the rotation cannot necessarily be inferred from the handedness of the space group. % In this work, we conduct a first-principles investigation of natural optical activity in SiO$_2$ and AlPO$_4$ crystals, focusing on their enantiomorphic structural phase transition from high-symmetry hexagonal ($P6_422$ or $P6_222$) to low-symmetry trigonal ($P3_121$ or $P3_221$) space groups. This transition, driven by the condensation of a zone-center $Γ_3$ phonon mode, reverses the screw axis type given by the space group symbol while leaving the sign of the optical activity unchanged. By following the evolution of the structure and the optical response along the transition pathway, we clarify the microscopic origin of this behavior. We demonstrate that the sense of optical rotation is determined not by the nominal helicity of the screw axis given in the space group symbol, but by the atomic-scale helicity of the most polarizable atoms of the structure.

cond-mat.mtrl-sci↗