Ultrafast laser induces macroscopic symmetry-breaking of diamond color centers

A multiscale simulation bridging NV center excitation, local vibrations, and phonon transport, unveiling new "local-to-extended" dynamics. The non-collinear magnetic system with spin-orbit coupling at the hundred-femtosecond scale offers a novel theoretical framework for ultrafast defect processes.

Published in Physics

Go to the profile of Chao Lian
Chao Lian
Associated Professor, Institute of Physics Chinese Academy of Sciences
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Nature Publishing Group UK
Nature Publishing Group UK Nature Publishing Group UK

Ultrafast laser induces macroscopic symmetry-breaking of diamond color centers - Nature Communications

The coupled electron-phonon-spin dynamics in diamond NV centers has been studied in pump-probe experiments, revealing distinct relaxation timescales. Here, the authors use real time time dependent density functional theory to provide a unified picture of the multistage dynamics in the NV center under ultrafast laser excitation.

This study not only achieves a cross-scale, full-cycle simulation spanning from the localized excitation of NV centers and molecular-like local vibrations to phonon diffusion under the condensed matter physics paradigm—vividly revealing the novel physical regime of “local-to-extended” dynamics in quantum defect systems—but also breaks through the bottlenecks of conventional computational methods. It successfully tackles the challenge of performing efficient and stable simulations of large-scale, non-collinear magnetic systems over hundred-femtosecond timescales while incorporating strong spin-orbit coupling. This work thus provides a fresh theoretical perspective and a new computational paradigm for understanding ultrafast non-equilibrium processes in solid-state quantum defects.

Go to the profile of Chao Lian
Chao Lian (He/Him)
Associated Professor, Institute of Physics Chinese Academy of Sciences

I am currently working on the development of time-dependent density functional methods and applying these methods to simulate ultrafast phenomena, including photo-induced phase transition, ultrafast spin dynamics, and excited-state electron-phonon coupling.

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Spotlight on Research from China
Research Publishing > Spotlight on Research from China
Ultrafast Photonics
Physical Sciences > Physics and Astronomy > Optics and Photonics > Ultrafast Photonics
Density Functional Theory
Physical Sciences > Physics and Astronomy > Condensed Matter Physics > Structure of Condensed Matter > Electronic Structure Calculations > Density Functional Theory

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