2011/03/08 by Bin Cai, Cai, Bin, D. A. Drabold +2
Engineering · Physics and Astronomy · #Disordered Systems and Neural Networks (cond-mat.dis-nn) #FOS: Physical sciences #GaN-based semiconductor devices and materials #Materials Science (cond-mat.mtrl-sci) #Semiconductor Quantum Structures and Devices #Thin-Film Transistor Technologies #cond-mat.dis-nn #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.1103.1634
4 pages, 5 figures
arxiv created 2011/03/08 · openalex publication_date 2011/03/08 · arxiv updated 2011/03/10 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
In this paper, we present three amorphous GaN models obtained from the first principles simulation. We find that a chemically ordered continuous random network is the ideal structure for a-GaN. If we exclude the tail states, we predict a 3.0eV optical gap for 64-atom model and 2.3eV for 250-atom models. We observe a highly localized valence tail and a remarkably delocalized exponential conduction tail which we associate with different hybridization in the two tails. Based upon these results, we speculate on potential differences in n and p type doping. The structural origin of tail and defect states is discussed. The vibrational density of states and dielectric function are computed, and are consistent with experiment.