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Naimer, Thomas ; Faria Junior, Paulo E. ; Zollner, Klaus ; Fabian, Jaroslav

Radial Rashba spin-orbit fields in commensurate twisted transition metal dichalcogenide bilayers

Naimer, Thomas , Faria Junior, Paulo E. , Zollner, Klaus und Fabian, Jaroslav (2026) Radial Rashba spin-orbit fields in commensurate twisted transition metal dichalcogenide bilayers. Physical Review B 113, 045417.

Veröffentlichungsdatum dieses Volltextes: 19 Jan 2026 05:34
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.78468

Dies ist die aktuelle Version dieses Eintrags.


Zusammenfassung

In commensurate twisted homobilayers, purely radial Rashba spin-orbit fields can emerge. We employ first-principles calculations to investigate the band structures and the spin-orbit fields close to the high-symmetry points K and Γ of several commensurate twisted transition-metal dichalcogenide homobilayers: WSe₂, NbSe₂, and WTe₂. The observed in-plane spin textures are mostly radial, and the ...

In commensurate twisted homobilayers, purely radial Rashba spin-orbit fields can emerge. We employ first-principles calculations to investigate the band structures and the spin-orbit fields close to the high-symmetry points K and Γ of several commensurate twisted transition-metal dichalcogenide homobilayers: WSe₂, NbSe₂, and WTe₂. The observed in-plane spin textures are mostly radial, and the main features are successfully reproduced using a model Hamiltonian based on two effective-mass models, including spin-orbit coupling, and a general (spin-conserving) interlayer coupling. Extracting the model Hamiltonian parameters through fitting of several twisted supercells, we find a twist angle dependency of the magnitude of the radial Rashba field, which is symmetric not only around the untwisted cases (Θ = 0° and Θ = 60°), but also around Θ = 30°. Furthermore, we observe that the interlayer coupling between the K (or K′ ) points of the two layers decreases with the increase of the size of the commensurate supercells. Hence, peaks of high interlayer coupling can occur only for twist angles, where small commensurate supercells are possible. Exploring different lateral displacements between the layers, we confirm that the relevant symmetry protecting the radial Rashba is an in-plane 180° rotation axis. We additionally investigate the effects of atomic relaxation and modulation of the interlayer distance. Our calculations on WTe₂ bilayers show that their lack of C₃ symmetry results in spin textures that are neither radial nor tangential. Our results offer fundamental microscopic insights that are particularly relevant to engineering spin-charge conversion schemes based on twisted layered materials.



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Details

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftPhysical Review B
Verlag:American Physical Society (APS)
Band:113
Seitenbereich:045417
Datum15 Januar 2026
InstitutionenPhysik > Institut für Theoretische Physik > Lehrstuhl Professor Richter > Arbeitsgruppe Jaroslav Fabian
Projekte
Gefördert von: Deutsche Forschungsgemeinschaft (DFG) (314695032)
Identifikationsnummer
WertTyp
10.1103/jyfh-q2r7DOI
Stichwörter / Keywordstransition-metal dichalcogenides, twistronics, spin-orbit coupling
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 530 Physik
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenZum Teil
URN der UB Regensburgurn:nbn:de:bvb:355-epub-784688
Dokumenten-ID78468

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