(675a) Electron-Hole Correlation in Quantum Wires | AIChE

(675a) Electron-Hole Correlation in Quantum Wires


Chakraborty, A. - Presenter, Syracuse University

Indium gallium nitride is a very promising material for applications in visible light emitting devices. This presentation will focus on computational treatment of the underlying electron-hole recombination process in InGaN/GaN nanowire. The explicitly correlated configuration interaction (XCCI) method will be used for solving the electron-hole Schrodinger equation for nanowires and electron-hole interaction energy and electron-hole recombination probability will be computed. The XCCI method is a variational method and has been used successfully for computation of exciton binding energy, electron-hole recombination probability and quantum confined Stark effect in quantum dots. The two areas this talk will focus on are (1). Shape-bases control and (2). Heterojunction-based control of electron-hole recombination in nanowires. For shape-based control studies, the XCCI method was applied to a series on nanowire of different lengths and aspect ratios. A detailed comparison of recombination probabilities from these calculations will be presented. For heterojunction-based studies, effect on the electron-hole recombination probability due to the size of the core and its orientation with respect to the longitudinal axis of the nanowire (centered versus off-centered) will be presented. In addition to computation of electron-hole interaction energy and electron-hole recombination probability, average electron-hole interparticle distance and spatial distribution of the charge carriers will also be presented for the systems described above. The implication of the computational results to enhance efficient of the nanowires will be discussed.