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Autores principales: Cardenas-Gamboa, Jorge, Gutierrez-Amigo, Martin, Leonardo, Aritz, Fiete, Gregory A., Mañes, Juan L., Brink, Jeroen van den, Felser, Claudia, Vergniory, Maia G.
Formato: Preprint
Publicado: 2025
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Acceso en línea:https://arxiv.org/abs/2510.12998
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author Cardenas-Gamboa, Jorge
Gutierrez-Amigo, Martin
Leonardo, Aritz
Fiete, Gregory A.
Mañes, Juan L.
Brink, Jeroen van den
Felser, Claudia
Vergniory, Maia G.
author_facet Cardenas-Gamboa, Jorge
Gutierrez-Amigo, Martin
Leonardo, Aritz
Fiete, Gregory A.
Mañes, Juan L.
Brink, Jeroen van den
Felser, Claudia
Vergniory, Maia G.
contents Chiral crystals offer an unique platform for controlling structural handedness through external stimuli. However, the ability to select between structural enantiomers remains challenging, both theoretically and experimentally. In this work, we demonstrate a two-step pathway for enantiomer selectivity in layered chiral NbOX$_2$ (X = Cl, Br, I) crystals based on photostriction-driven phase transitions. Ab-initio simulations reveal that optical excitation is capable of inducing a structural phase transition in NbOX$_2$ from the monoclinic ($C2$) ground state to the higher-symmetry ($C2/m$) structure. In the resulting transient high-symmetry state, an applied electric field breaks the residual inversion-symmetry degeneracy, selectively stabilizing one enantiomeric final state configuration over the other. Our results establish a combined optical-electrical control scheme for chiral materials, enabling reversible and non-contact enantiomer selection with potential applications in ultrafast switching, optoelectronics, and chiral information storage.
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spellingShingle Photostriction-Driven Phase Transition in Layered Chiral NbOX$_2$ Crystals: Electrical-Field-Controlled Enantiomer Selectivity
Cardenas-Gamboa, Jorge
Gutierrez-Amigo, Martin
Leonardo, Aritz
Fiete, Gregory A.
Mañes, Juan L.
Brink, Jeroen van den
Felser, Claudia
Vergniory, Maia G.
Materials Science
Chiral crystals offer an unique platform for controlling structural handedness through external stimuli. However, the ability to select between structural enantiomers remains challenging, both theoretically and experimentally. In this work, we demonstrate a two-step pathway for enantiomer selectivity in layered chiral NbOX$_2$ (X = Cl, Br, I) crystals based on photostriction-driven phase transitions. Ab-initio simulations reveal that optical excitation is capable of inducing a structural phase transition in NbOX$_2$ from the monoclinic ($C2$) ground state to the higher-symmetry ($C2/m$) structure. In the resulting transient high-symmetry state, an applied electric field breaks the residual inversion-symmetry degeneracy, selectively stabilizing one enantiomeric final state configuration over the other. Our results establish a combined optical-electrical control scheme for chiral materials, enabling reversible and non-contact enantiomer selection with potential applications in ultrafast switching, optoelectronics, and chiral information storage.
title Photostriction-Driven Phase Transition in Layered Chiral NbOX$_2$ Crystals: Electrical-Field-Controlled Enantiomer Selectivity
topic Materials Science
url https://arxiv.org/abs/2510.12998