Calculation of Bohmian quantum trajectories for STEM.

Area of Science:

• Physics
• Materials Science
• Quantum Mechanics

Background:

• Understanding electron wave function propagation is crucial for interpreting microscopy data.
• Current methods may not fully capture quantum effects in crystalline materials.

Purpose of the Study:

• To calculate Bohmian quantum trajectories for electron wave function propagation in crystals.
• To visualize and understand electron diffraction in scanning transmission electron microscopy (STEM).

Main Methods:

• Solving the time-dependent Schrödinger equation using a fast Fourier transformation multislice algorithm.
• Applying the Bohmian quantum trajectory method to model electron probes in crystalline structures.
• Utilizing a copper crystal as a specific example for trajectory calculations.

Main Results:

• Successfully calculated Bohmian quantum trajectories for an electron probe in a crystal.
• Provided a trajectory-based perspective on the electron diffraction process.
• Demonstrated the method's applicability to crystalline materials.

Conclusions:

• Bohmian quantum trajectories offer a novel way to understand electron wave function propagation in STEM.
• This approach enhances the study of electron diffraction in crystalline solids.
• The method can extend classical Monte Carlo simulations to crystalline structures.