Cross-sectional STM of Mn-doped GaAs: theory and experiment
J. M. Sullivan, G. I. Boishin, L. J. Whitman, A. T. Hanbicki, B. T., Jonker, and S. C. Erwin
TL;DR
This paper combines first-principles calculations and experimental STM imaging to identify various Mn dopant configurations in GaAs, enhancing understanding of dopant behavior near the surface.
Contribution
It provides a detailed comparison of simulated and experimental STM images to identify specific Mn dopant configurations in GaAs surface layers.
Findings
Identification of three Mn configurations at the surface
Correlation between simulated and experimental STM images
Insights into dopant arrangements near GaAs surface
Abstract
We report first-principles calculations of the energetics and simulated scanning tunneling microscopy (STM) images for Mn dopants near the GaAs (110) surface, and compare the results with cross-sectional STM images. The Mn configurations considered here include substitutionals, interstitials, and complexes of substitutionals and interstitials in the first three layers near the surface. Based on detailed comparisons of the simulated and experimental images, we identify three types of Mn configurations imaged at the surface: (1) single Mn substitutionals, (2) pairs of Mn substitutionals, and (3) complexes of Mn substitutionals and interstitials.
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