CPI: 9.33/10
Percentage: 82%
Percentage: 60%
I have developed theoretical models to study the growth of homo- and hetero-epitaxial thin films. My main tools have been theoretical development and numerical simulations using lattice-based kinetic Monte Carlo (kMC). I have mainly focused on the structural evolution of surface during heteroepitaxial growth due to reconstruction and elasticity. I have used atomistic model for elasticity, which is computationally very expensive. I, myself, have written the whole kMC simulation code in "C" language. For better computational performance, I have successfully used Message Passing Interface and Open Multi-Processing to accelerate the intra-node performance.
Our model is the first kMC model that includes both surface reconstruction and strain effects explicitly and explain both submonolayer growth and multilayer growth (quantum dot formation) statistics nicely.
Recently, I have started some quantum mechanical calculation using Quantum Espresso to study elastic constant for the Si-Ge system.
Snapshots of the surface during growth growth of Ge on Si (001) at 1 ML/s for coverages: (a) 0.1 ML-Elongated island, (b) 1.3 ML-Layer by layer growth, (c) 4.0 ML-2D/3D transition or Stranski Krastanov transition, and (d) 7.0 ML-Ge Quantum dots. In (e) we show a side view of (d) and an enlarged view of the region in (d) marked by a square.
Heteroepitaxial growth of Ge on Si(001)Change in shape anisotropy due to annealing.
Simulation
Paramita Ghosh E-mail
Department of Chemistry
Indian Institute of Technology Kanpur
Kanpur-208016
Uttar Pradesh, India
0512-679-6539 (Office)
paramita[AT]iitk.ac.in