Computing Semiconductor Defect Properties: Band Gap Levels and Beyond
Abstract not provided.
Publications
Large Scale First-Principles Simulations of Point Defect Behavior in Crystalline Silicon
Abstract not provided.
Charge States of the Silicon Self-Interstitial Revisited
Abstract not provided.
Reconstruction and Disorder at Compound Semiconductor Surfaces
Abstract not provided.
Entropy-driven Stabilization of Surface Reconstructions on GaAs(001)
Proposed for publication in Physical Review Letters.
Abstract not provided.
Time-Dependent Density Functional Theory with Moving Ions
Abstract not provided.
Reconstruction Disorder and Nanostructure Formation at Compound Semiconductor Surfaces
Abstract not provided.
Theory of Defect-Induced Non-Radiative Recombination
Abstract not provided.
Understanding and Controlling Defect Recombination from the Nanoscopic to Macroscopic Scale (invited)
Abstract not provided.
Thrust Overview - Theory and Simulation of Nanoscale Phenomena
Abstract not provided.
A Defect-based Mechanism for Efficiency Droop in Nitride Light Emitting Diodes
Abstract not provided.
A defectbased mechanism for efficiency droop in nitride light emitting diodes
Abstract not provided.
Defect diffusion and reactions in GaAs
Abstract not provided.
Coupled Ionic and Electronic Heat Transport at the Nanoscale
Abstract not provided.
Electron-Ion Energy Transfer and Time-Dependent Density Functional Theory - Successes and Failures
Abstract not provided.
A Defect-Based Mechanism for Efficiency Droop in GaN-Based Light Emitting Diodes
Applied Physics Letters
Abstract not provided.
Application of a Microscopic Model to Efficiency Droop of InGaN LEDs
Abstract not provided.
Ultraviolet Semiconductor Materials for Next-Generation Water Security (invited)
Abstract not provided.
Using DFT results to understand the evolution of defect state populations in ion-damaged HBT's
Abstract not provided.
Role of Multi-Level Defects in InGaN LED Efficiency Droop (invited)
Abstract not provided.
Coupled ionic and electronic heat transport at the nanoscale
In modeling thermal transport in nanoscale systems, classical molecular dynamics (MD) explicitly represents phonon modes and scattering mechanisms, but electrons and their role in energy transport are missing. Furthermore, the assumption of local equilibrium between ions and electrons often fails at the nanoscale. We have coupled MD (implemented in the LAMMPS MD package) with a partial differential equation based representation of the electrons (implemented using finite elements). The coupling between the subsystems occurs via a local version of the two-temperature model. Key parameters of the model are calculated using the Time Dependent Density Functional Theory with either explicit or implicit energy flow. We will discuss application of this work in the context of the US DOE Center for Integrated Nanotechnologies (CINT).
DFT calculations pursuant to modeling atomic displacement damage in devices
Abstract not provided.
A Systematic Approach for Determination of Equilibrium Atomic Surface Structure
Physics Review B
Abstract not provided.
DFT calculations pursuant to modeling radiation damage in circuits
Abstract not provided.
DFT Calculations Pursuant to Modeling Atomic Displacement Damage in Circuits
Abstract not provided.
Results 51–75 of 110