Reconstructions of the As-Terminated GaAs(001) Surface Exposed to Atomic Hydrogen

Karmo, Marsel; Alvarado, Isaac Azahel Ruiz; Schmidt, Wolf Gero; Runge, Erich

doi:10.1021/acsomega.1c06019

Cited by 6 publications

(6 citation statements)

References 23 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Binary III-V surface reconstructions can be understood in terms of a simple electron counting model (ECM) [24]: A surface structure satisfies this model if all cation dangling bonds are empty and all anion dangling bonds are full, given the number of available electrons. This model may be extended to hydrogen-covered surfaces [25] and is satisfied by the majority of the stable ternary surface structures identified here. In fact, the 2×1-AlMD-2H structure is the only exception to the ECM.…”

Section: Surface Electronic Propertiesmentioning

confidence: 70%

AlInP(001) surface structure and electronic properties

Glahn

Alvarado

Neufeld

et al. 2022

Preprint

Self Cite

View full text Add to dashboard Cite

Total-energy and electronic structure calculations based on density-functional theory are performed in order to determine the atomic structure and electronic properties of Al0.5In0.5P(001) surfaces. It is found that most of the stable surfaces obey the electron counting rule and are characterized by surface atom dimerization. The dimer related surface states are predicted to occur in the vicinity of the bulk band edges. For a very narrow range of preparation conditions, ab initio thermodynamics predicts metal atomic wires formed by surface cations. In case of typical metalorganic vapor-phase epitaxy growth conditions, a surface covered with a monolayer of buckled phosphorus dimers, where half of the phosphorus atoms are hydrogen-saturated, is found to be stable. The occurrence of this structure is confirmed by low energy electron diffraction and X-ray photoelectron spectroscopy data measured on epitaxially grown Al0.52In0.48P(001) epilayers lattice matched to GaAs.

show abstract

Section: Surface Electronic Propertiesmentioning

confidence: 70%

AlInP(001) surface structure and electronic properties

Glahn

Alvarado

Neufeld

et al. 2022

Preprint

Self Cite

View full text Add to dashboard Cite

show abstract

“…Binary III–V surface reconstructions can be understood in terms of a simple electron counting model (ECM): [ 35 ] A surface structure satisfies this model if all cation dangling bonds are empty and all anion dangling bonds are full, given the number of available electrons. This model may be extended to hydrogen‐covered surfaces [ 36 ] and is satisfied by the majority of the stable ternary surface structures identified here. In fact, the 2 × 1‐AlMD‐2H structure is the only exception to the ECM.…”

Section: Resultsmentioning

confidence: 85%

Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties

Glahn

Alvarado

Neufeld

et al. 2022

Physica Status Solidi (b)

Self Cite

View full text Add to dashboard Cite

Total energy and electronic structure calculations based on density functional theory are performed in order to determine the atomic structure and electronic properties of clean and hydrogen‐adsorbed Al0.5In0.5P(001) surfaces. It is found that most of the stable surfaces obey the electron‐counting rule and are characterized by surface atom dimerization. The dimer‐related surface states are predicted to occur in the vicinity of the bulk band edges. For a very narrow range of preparation conditions, ab initio thermodynamics predicts metal atomic wires formed by surface cations. A surface covered with a monolayer of buckled phosphorus dimers, where half of the phosphorus atoms are hydrogen saturated, is found to be stable for metal–organic vapor‐phase epitaxy growth conditions. The occurrence of this structure is confirmed by low‐energy electron diffraction and X‐ray photoelectron spectroscopy data measured on epitaxially grown Al0.52In0.48P(001) epilayers lattice matched to GaAs.

show abstract

“…Finally, different results can be expected for MBE, OMVPE, and HVPE, because each growth method can supply additional elements to the surface through various pathways. The reconstruction of Ga x In 1– x P(100) is qualitatively different in OMVPE than in MBE, because OMVPE-prepared surfaces incorporate atomic hydrogen provided by precursors like PH 3 , and AsH 3 . For HVPE, the availability of Cl to the surface similarly creates possibilities not available to OMVPE or MBE .…”

Section: Resultsmentioning

confidence: 99%

In Situ Smoothing of Facets on Spalled GaAs(100) Substrates during OMVPE Growth of III–V Epilayers, Solar Cells, and Other Devices: The Impact of Surface Impurities/Dopants

McMahon,

Braun,

Perna

et al. 2024

Crystal Growth & Design

View full text Add to dashboard Cite

One possible pathway toward reducing the cost of III−V solar cells is to remove them from their growth substrate by spalling fracture, and then reuse the substrate for the growth of multiple cells. Here we consider the growth of III−V cells on spalled GaAs(100) substrates, which typically have faceted surfaces after spalling. To facilitate the growth of high-quality cells, these faceted surfaces should be smoothed prior to cell growth. In this study, we show that these surfaces can be smoothed during organometallic vapor-phase epitaxy growth, but the choice of epilayer material and modification of the various surfaces by impurities/dopants greatly impacts whether or not the surface becomes smooth, and how rapidly the smoothing occurs. Representative examples are presented along with a discussion of the underlying growth processes. Although this work was motivated by solar cell growth, the methods are generally applicable to the growth of any III−V device on a nonplanar substrate.

show abstract

Reconstructions of the As-Terminated GaAs(001) Surface Exposed to Atomic Hydrogen

Cited by 6 publications

References 23 publications

AlInP(001) surface structure and electronic properties

AlInP(001) surface structure and electronic properties

Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties

In Situ Smoothing of Facets on Spalled GaAs(100) Substrates during OMVPE Growth of III–V Epilayers, Solar Cells, and Other Devices: The Impact of Surface Impurities/Dopants

Contact Info

Product

Resources

About