Introduction of multi-particle Büttiker probes—Bridging the gap between drift diffusion and quantum transport

Abstract

State-of-the-art industrial semiconductor device modeling is based on highly efficient Drift-Diffusion (DD) models that include some quantum corrections for nanodevices. In contrast, latest academic quantum transport models are based on the non-equilibrium Green’s function (NEGF) method that covers all coherent and incoherent quantum effects consistently. Carrier recombination and generation in optoelectronic nanodevices represent an immense numerical challenge when solved within NEGF. In this work, the numerically efficient Büttiker-probe model is expanded to include electron–hole recombination and generation in the NEGF framework. Benchmarks of the new multiple-particle Büttiker probe method against state-of-the-art quantum-corrected DD models show quantitative agreements except in cases of pronounced tunneling and interference effects.

Efficiency Models for GaN-Based Light-Emitting Diodes: Status and Challenges

“…Such models are especially valuable in the investigation of tunneling and carrier leakage processes. However, the inclusion of electron–hole recombination is difficult and still under development [ 20 ]. Simplified tunneling models have been implemented in drift-diffusion simulations to investigate multi-quantum barriers [ 21 ], trap-assisted interband tunneling [ 22 ], or LED structures with tunnel-junction cascaded active regions [ 23 , 24 ].…”

Tunneling-to-Hopping Transition in Multiheme Cytochrome Bioelectronic Junctions

“…To obtain further mechanistic insight, it would be desirable to study charge transport in MHC junctions by direct charge propagation using non-adiabatic molecular dynamics techniques or analyzed by sophisticated models capturing, for example, quantum interference effects, charge carrier generation and recombination, or their incoherent scattering on defects and lattice vibrations. , However, these methods are typically very computationally demanding and currently not applicable on the extended heterogeneous bio/metallic interfaces like protein junctions. Recently, we have established a computational protocol for coherent tunneling current calculation in protein junctions based on the Landauer–Büttiker formalism in combination with the DFT+Σ method .…”

Band tail formation in mono and multilayered transition metal dichalcogenides: A detailed assessment and a quick-reference guide

“…Electronic, thermal and optoelectronic systems with nanoscale dimensions or pronounced nonequilibrium conditions are a few such examples [60][61][62][63][64][65][66][67] .This work summarizes the quantum transport calculations with an easily accessible lookup formula to predict Urbach parameters of MoS 2 , WS 2 and WSe 2 layer systems as a function of layer thickness, temperature, doping concentration, and oxide type.…”