Real-Time Out-of-Equilibrium Quantum Dynamics in Disordered Materials

Area of Science:

• Condensed matter physics
• Materials science
• Computational physics

Background:

• Understanding nonequilibrium electron dynamics is crucial for designing advanced materials.
• Exploring complex systems requires efficient numerical methods capable of handling large scales.
• Disorder and light interactions significantly influence material properties.

Purpose of the Study:

• To introduce a linear-scaling numerical method for simulating nonequilibrium electron dynamics.
• To investigate the impact of disorder on optical properties of graphene and related materials.
• To explore potential applications in materials sensing.

Main Methods:

• Chebyshev expansion of the time evolution of the single-particle density matrix.
• Linear-scaling numerical approach for large-scale simulations.
• Application to models of disordered materials, including graphene.

Main Results:

• The method accurately simulates nonperturbative excitation and relaxation phenomena.
• Disorder was found to enhance optical absorption in graphene.
• Interplay of light, anisotropy, and disorder in nanoporous graphene shows promise for sensing.

Conclusions:

• The developed method enables efficient exploration of electron dynamics in complex, disordered materials.
• Disorder-tuned optical absorption in graphene opens avenues for novel applications.
• The method's versatility extends to various large-area materials and defect studies.