1996/12/02 by Michel Bockstedte, Matthias Scheffler, Bockstedte, Michel +1
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Semiconductor Quantum Structures and Devices #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.cond-mat/9612026
15 pages, 4 figures. Z. Phys. Chem, in print
arxiv created 1996/12/02 · openalex publication_date 1996/12/02 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Ab initio molecular dynamics simulations are employed to investigate the dominant migration mechanism of the gallium vacancy in gaas as well as to assess its free energy of formation and the rate constant of gallium self-diffusion. our analysis suggests that the vacancy migrates by second nearest neighbour hops. the calculated self-diffusion constant is in good agreement with the experimental value obtained in 69 GaAs/ 71 GaAs isotope heterostructures and at significant variance with that obtained earlier from interdiffusion experiments in GaAlAs/GaAs-heterostructures.