Glahn, Luis Joel ; Ruiz Alvarado, Isaac Azahel ; Neufeld, Sergej ; Zare Pour, Mohammad Amin ; Paszuk, Agnieszka ; Ostheimer, David ; Shekarabi, Sahar ; Romanyuk, Oleksandr ; Moritz, Dominik Christian ; Hofmann, Jan Philipp ; Jaegermann, Wolfram ; Hannappel, Thomas ; Schmidt, Wolf Gero (2023)
Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties.
In: physica status solidi (b) : basic solid state physics, 2022, 259 (11)
doi: 10.26083/tuprints-00023714
Artikel, Zweitveröffentlichung, Verlagsversion
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Kurzbeschreibung (Abstract)
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.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2023 |
| Autor(en): | Glahn, Luis Joel ; Ruiz Alvarado, Isaac Azahel ; Neufeld, Sergej ; Zare Pour, Mohammad Amin ; Paszuk, Agnieszka ; Ostheimer, David ; Shekarabi, Sahar ; Romanyuk, Oleksandr ; Moritz, Dominik Christian ; Hofmann, Jan Philipp ; Jaegermann, Wolfram ; Hannappel, Thomas ; Schmidt, Wolf Gero |
| Art des Eintrags: | Zweitveröffentlichung |
| Titel: | Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties |
| Sprache: | Englisch |
| Publikationsjahr: | 27 November 2023 |
| Ort: | Darmstadt |
| Publikationsdatum der Erstveröffentlichung: | 2022 |
| Ort der Erstveröffentlichung: | Weinheim |
| Verlag: | Wiley-VCH |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | physica status solidi (b) : basic solid state physics |
| Jahrgang/Volume einer Zeitschrift: | 259 |
| (Heft-)Nummer: | 11 |
| Kollation: | 6 Seiten |
| DOI: | 10.26083/tuprints-00023714 |
| URL / URN: | https://tuprints.ulb.tu-darmstadt.de/23714 |
| Zugehörige Links: | |
| Herkunft: | Zweitveröffentlichung DeepGreen |
| Kurzbeschreibung (Abstract): | 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. |
| Freie Schlagworte: | AlInP, density functional theory, electronic properties, surface structures, X-ray photoelectron spectroscopy |
| ID-Nummer: | 2200308 |
| Status: | Verlagsversion |
| URN: | urn:nbn:de:tuda-tuprints-237143 |
| Sachgruppe der Dewey Dezimalklassifikatin (DDC): | 500 Naturwissenschaften und Mathematik > 530 Physik 500 Naturwissenschaften und Mathematik > 540 Chemie |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Oberflächenforschung |
| Hinterlegungsdatum: | 27 Nov 2023 14:05 |
| Letzte Änderung: | 28 Nov 2023 06:49 |
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