Theoretical study of high-order harmonic generation in solids based on deep-learning methods
Abstract
High-order harmonic generation (HHG) in solids provides a compact and coherent EUV radiation, which has attracted considerable attention. Many theoretical methods for laser-crystal interactions are developed. However, an approach to treat large-scale amorphous systems with ab-initio accuracy is still lacking because of the enormous computational cost. Here, we incorporate molecular dynamics and tight-binding electron Hamiltonians based on deep-learning methods to solve the problem efficiently. Its accuracy is validated by comparing the HHG spectra of monolayer hexagonal boron nitride (h-BN) with those obtained using existing methods. Then we use it to study the temperature-dependent HHG in bulk Si. We uncover a distinct harmonic-order-dependent thermal response: low-order harmonics are enhanced with increasing temperature, whereas high-order harmonics are suppressed. The former is caused by the modification of the inter-site hopping in the system, while the latter is mainly influenced by the structural disorder induced by the thermal effects, in agreement with experimental observations. This work establishes a scalable computational strategy for investigating HHG in solids and provides new insights into the interplay between lattice fluctuations and ultrafast electron dynamics.
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BibTeX
@misc{huang2026theoretical,
title = {{Theoretical study of high-order harmonic generation in solids based on deep-learning methods}},
author = {Wen-Feng Huang and Jia-Qi Liu and Xue-Bin Bian},
howpublished = {arXiv},
year = {2026},
month = oct,
doi = {10.48550/arxiv.2610.35991},
eprint = {2610.35991},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2610.35991},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Theoretical study of high-order harmonic generation in solids based on deep-learning methods
AU - Wen-Feng Huang
AU - Jia-Qi Liu
AU - Xue-Bin Bian
PY - 2026
DA - 2026/10/28
PB - arXiv
DO - 10.48550/arxiv.2610.35991
UR - https://arxiv.org/abs/2610.35991
AB - High-order harmonic generation (HHG) in solids provides a compact and coherent EUV radiation, which has attracted considerable attention. Many theoretical methods for laser-crystal interactions are developed. However, an approach to treat large-scale amorphous systems with ab-initio accuracy is still lacking because of the enormous computational cost. Here, we incorporate molecular dynamics and tight-binding electron Hamiltonians based on deep-learning methods to solve the problem efficiently. Its accuracy is validated by comparing the HHG spectra of monolayer hexagonal boron nitride (h-BN) with those obtained using existing methods. Then we use it to study the temperature-dependent HHG in bulk Si. We uncover a distinct harmonic-order-dependent thermal response: low-order harmonics are enhanced with increasing temperature, whereas high-order harmonics are suppressed. The former is caused by the modification of the inter-site hopping in the system, while the latter is mainly influenced by the structural disorder induced by the thermal effects, in agreement with experimental observations. This work establishes a scalable computational strategy for investigating HHG in solids and provides new insights into the interplay between lattice fluctuations and ultrafast electron dynamics.
ER -