Klein, Andreas ; Tiefenbacher, S. ; Eyert, V. ; Pettenkofer, C. ; Jaegermann, Wolfram (2022)
Electronic band structure of single-crystal and single-layer WS₂: Influence of interlayer van der Waals interactions.
In: Physical Review B, 2001, 64 (20)
doi: 10.26083/tuprints-00021167
Artikel, Zweitveröffentlichung, Verlagsversion
 | Es ist eine neuere Version dieses Eintrags verfügbar. |
Kurzbeschreibung (Abstract)
The valence band structure of the layered transition metal dichalcogenide WS₂ has been determined experimentally by angle resolved photoelectron spectroscopy and theoretically by augmented spherical wave band structure calculations as based on density functional theory. Good agreement between experimental and calculated band structure is observed for single crystal WS₂. An experimental band structure of a single layer was determined from an electronically decoupled film prepared on a single crystalline graphite substrate by metal-organic van der Waals epitaxy. The polarization dependent photoemission selection rules of the single layer film are appropriate for a free standing film. The experimental single layer band structure shows some differences compared to band structure calculations using bulk atomic positions within the layer. We conclude that relaxation of the single layer occurs as a consequence of the missing interlayer interactions leading to close agreement between electronic structure of the single layer and single crystal. As a consequence of the missing interlayer interactions the valence band maximum for the single layer is located at the K point of the Brillouin zone.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2022 |
| Autor(en): | Klein, Andreas ; Tiefenbacher, S. ; Eyert, V. ; Pettenkofer, C. ; Jaegermann, Wolfram |
| Art des Eintrags: | Zweitveröffentlichung |
| Titel: | Electronic band structure of single-crystal and single-layer WS₂: Influence of interlayer van der Waals interactions |
| Sprache: | Englisch |
| Publikationsjahr: | 2022 |
| Publikationsdatum der Erstveröffentlichung: | 2001 |
| Verlag: | American Physical Society |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Physical Review B |
| Jahrgang/Volume einer Zeitschrift: | 64 |
| (Heft-)Nummer: | 20 |
| Kollation: | 14 Seiten |
| DOI: | 10.26083/tuprints-00021167 |
| URL / URN: | https://tuprints.ulb.tu-darmstadt.de/21167 |
| Zugehörige Links: | |
| Herkunft: | Zweitveröffentlichungsservice |
| Kurzbeschreibung (Abstract): | The valence band structure of the layered transition metal dichalcogenide WS₂ has been determined experimentally by angle resolved photoelectron spectroscopy and theoretically by augmented spherical wave band structure calculations as based on density functional theory. Good agreement between experimental and calculated band structure is observed for single crystal WS₂. An experimental band structure of a single layer was determined from an electronically decoupled film prepared on a single crystalline graphite substrate by metal-organic van der Waals epitaxy. The polarization dependent photoemission selection rules of the single layer film are appropriate for a free standing film. The experimental single layer band structure shows some differences compared to band structure calculations using bulk atomic positions within the layer. We conclude that relaxation of the single layer occurs as a consequence of the missing interlayer interactions leading to close agreement between electronic structure of the single layer and single crystal. As a consequence of the missing interlayer interactions the valence band maximum for the single layer is located at the K point of the Brillouin zone. |
| Status: | Verlagsversion |
| URN: | urn:nbn:de:tuda-tuprints-211676 |
| Sachgruppe der Dewey Dezimalklassifikatin (DDC): | 500 Naturwissenschaften und Mathematik > 530 Physik 600 Technik, Medizin, angewandte Wissenschaften > 620 Ingenieurwissenschaften und Maschinenbau |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Oberflächenforschung |
| Hinterlegungsdatum: | 20 Apr 2022 12:02 |
| Letzte Änderung: | 21 Apr 2022 05:02 |
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| Suche nach Titel in: | TUfind oder in Google |
Verfügbare Versionen dieses Eintrags
- Electronic band structure of single-crystal and single-layer WS₂: Influence of interlayer van der Waals interactions. (deposited 20 Apr 2022 12:02) [Gegenwärtig angezeigt]
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