First Principles Calculations of the Adsorption of Arsenic on Ge(001) and Its Surfactant Effect in the Epitaxial Growth of Si on Ge(001)

In this paper, heteroepitaxial growth of GaAs on nominal (100) Ge/Si substrate was investigated. The root-mean square surface roughness of the sample where the first few monolayers of the GaAs were nucleated by migration enhanced epitaxy (MEE) is four times smaller compared to the sample without such a process, indicating better surface planarity. From the (004) x-ray diffraction rocking curve measurement, the full width at half maximum of the GaAs layer nucleated by MEE is 40% lower compared to that of the GaAs layer without such a process, indicating better crystal quality. Furthermore, it was found that the sample where the GaAs layer was nucleated by MEE experienced early relaxation. As the MEE process promotes two-dimensional growth, the GaAs layer where nucleation was initiated by such a process has fewer islandlike formations. This leads to a pseudomorphically grown GaAs layer, which experiences higher strain compared to the GaAs layer with more islandlike formations, where most relaxation occurs on the free surface of the islands. Therefore, for the same layer thickness, the GaAs layer on (100) Ge/Si substrate where nucleation was initiated by MEE relaxed first.

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Heteroepitaxial growth of GaAs on (100) Ge/Si using migration enhanced epitaxy

Tanoto

Yoon

Loke

et al. 2008

Journal of Applied Physics

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Group V adsorbate structures on vicinal Ge(001) surfaces determined from the optical spectrum

Banerjee

Patterson

McGilp

2017

Applied Physics Letters

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Vicinal Ge(001) is the standard substrate for the fabrication of high-performance solar cells by metal-organic vapour phase epitaxy, where growth of the III-V material on single domain Ge surfaces, with a single dimer orientation, minimizes the formation of anti-phase domain defects. Reflectance anisotropy spectroscopy has proved to be a powerful and sensitive optical probe of such anisotropic surface structures, but moving beyond fingerprinting to atomic structure determination from the optical spectra has been held back by the high computational cost. It is shown that an empirical, local-orbital-based hybrid density functional theory approach produces very good agreement between the theory and the experiment for (2 × 1)-As and (2 × 1)-Sb structures grown on vicinal Ge(001). These results, when taken together with previous work on Si interfaces, show that this computationally efficient approach is likely to prove to be an important general technique for determining the structure of anisotropic semiconductor surfaces and interfaces by comparing the experimental and calculated optical spectrum.

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First Principles Calculations of the Adsorption of Arsenic on Ge(001) and Its Surfactant Effect in the Epitaxial Growth of Si on Ge(001)

Cited by 2 publications

References 32 publications

Heteroepitaxial growth of GaAs on (100) Ge/Si using migration enhanced epitaxy

Heteroepitaxial growth of GaAs on (100) Ge/Si using migration enhanced epitaxy

Group V adsorbate structures on vicinal Ge(001) surfaces determined from the optical spectrum

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