Update: You may check my GitHub page for latest update in exciton-phonon, electron phonon and real tiem Monte Carlo and 3D NEGF code developments. I have tried to write the flow in a super easy to understand format, so that anyone can run these lengthy and cascaded consecutive flows without losing much time in between.
Electronic Structure Theory Group
Transient snapshots of electronic occupations in h-BN monolayer with electric field: Methods: In-house Monte-Carlo code + commercial first principles Quantum Espresso and EPW codes.
Our in-house Full-Band Monte Carlo (FBMC) code accurately predicts electron and hole drift velocities under applied electric fields, enabling the calculation of field-dependent carrier mobility. The methodology is based entirely on first-principles calculations, including quadrupole corrections to the Fröhlich electron–phonon interaction. Example is shown for h-BN monolayer.
We do: First-Principles Calculations and Quantum Transport Models in Semiconductors and 2D MOSFETs
- Exciton–phonon dynamics and optical nonlinearities in semiconductors, transient pump–probe spectroscopy, and fluence-dependent excitonic spectroscopy.
- Single-photon emission from semiconductors with defects.
- Electrical mobilities in semiconductor materials.
- Non-equilibrium Green's functions (2D Schrödinger–Poisson solvers) and compact model development for 2D material-based FETs.
Funding and Collaborating Agencies/Institutes:
