Size-Dependent High-Order Harmonic Generation from Linear Carbon-Chain Molecules in Linearly Polarized Laser Fields
Abstract
High-order harmonic generation from molecules is highly sensitive to molecular geometry and strong-field electron dynamics, providing a powerful route for probing and controlling ultrafast processes in extended systems. In this work, we systematically investigate the influence of molecular chain length on HHG from linear carbon-chain molecules C2H2, C6H2, and C10H2 driven by an 800 nm linearly polarized laser field. To isolate the molecular-size effect from the influence of different ionization potentials, the laser intensities are adjusted to maintain the same Keldysh parameter for different molecules. Real-time time-dependent density functional theory simulations are performed with the molecular axis aligned parallel to the laser polarization direction. The results show that increasing the molecular chain length significantly enhances the harmonic yield and tends to extend the cutoff region. In particular, C10H2 exhibits much stronger plateau harmonics than C2H2, while the intermediate molecule C6H2 shows harmonic intensities between those of C2H2 and C10H2. Time-frequency analysis and charge-density evolution reveal that the enhanced HHG emission in longer chains originates from the enlarged electron acceleration distance and increased probability of multi-center recollision, especially near the terminal carbon atoms. These findings demonstrate that molecular-size engineering offers an effective strategy for controlling harmonic emission and optimizing attosecond light sources in extended molecular systems.
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BibTeX
@misc{kang2026sizedependent,
title = {{Size-Dependent High-Order Harmonic Generation from Linear Carbon-Chain Molecules in Linearly Polarized Laser Fields}},
author = {Yifan Kang and Yang Yang and Yingtan Li and Shuwen Pang and Huiwen Yang and Yingdan Zhang and Shushan Zhou},
howpublished = {arXiv},
year = {2026},
month = oct,
doi = {10.48550/arxiv.2610.21712},
eprint = {2610.21712},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2610.21712},
}
RIS
TY - UNPB
TI - Size-Dependent High-Order Harmonic Generation from Linear Carbon-Chain Molecules in Linearly Polarized Laser Fields
AU - Yifan Kang
AU - Yang Yang
AU - Yingtan Li
AU - Shuwen Pang
AU - Huiwen Yang
AU - Yingdan Zhang
AU - Shushan Zhou
PY - 2026
DA - 2026/10/15
PB - arXiv
DO - 10.48550/arxiv.2610.21712
UR - https://arxiv.org/abs/2610.21712
AB - High-order harmonic generation from molecules is highly sensitive to molecular geometry and strong-field electron dynamics, providing a powerful route for probing and controlling ultrafast processes in extended systems. In this work, we systematically investigate the influence of molecular chain length on HHG from linear carbon-chain molecules C_2H_2, C_6H_2, and C_10H_2 driven by an 800 nm linearly polarized laser field. To isolate the molecular-size effect from the influence of different ionization potentials, the laser intensities are adjusted to maintain the same Keldysh parameter for different molecules. Real-time time-dependent density functional theory simulations are performed with the molecular axis aligned parallel to the laser polarization direction. The results show that increasing the molecular chain length significantly enhances the harmonic yield and tends to extend the cutoff region. In particular, C_10H_2 exhibits much stronger plateau harmonics than C_2H_2, while the intermediate molecule C_6H_2 shows harmonic intensities between those of C_2H_2 and C_10H_2. Time-frequency analysis and charge-density evolution reveal that the enhanced HHG emission in longer chains originates from the enlarged electron acceleration distance and increased probability of multi-center recollision, especially near the terminal carbon atoms. These findings demonstrate that molecular-size engineering offers an effective strategy for controlling harmonic emission and optimizing attosecond light sources in extended molecular systems.
ER -