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Proximity effects in graphene on monolayers of transition-metal phosphorus trichalcogenides MPX3
Zollner, Klaus und Fabian, Jaroslav
(2022)
Proximity effects in graphene on monolayers of transition-metal phosphorus trichalcogenides MPX3.
Phys. Rev. B 106, 035137.
Veröffentlichungsdatum dieses Volltextes: 13 Feb 2023 15:09
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.53709
Zusammenfassung
We investigate the electronic band structure of graphene on a series of two-dimensional magnetic transition -metal phosphorus trichalcogenide monolayers, MPX3 with M = {Mn,Fe,Ni,Co} and X = {S,Se}, with first-principles calculations. A symmetry-based model Hamiltonian is employed to extract orbital parameters and sublattice resolved proximity-induced exchange couplings (lambda(A)(ex) and ...
We investigate the electronic band structure of graphene on a series of two-dimensional magnetic transition -metal phosphorus trichalcogenide monolayers, MPX3 with M = {Mn,Fe,Ni,Co} and X = {S,Se}, with first-principles calculations. A symmetry-based model Hamiltonian is employed to extract orbital parameters and sublattice resolved proximity-induced exchange couplings (lambda(A)(ex) and lambda(B)(ex)) from the low-energy Dirac bands of the proximitized graphene. Depending on the magnetic phase of the MPX3 layer (ferromagnetic and three antiferromagnetic ones), completely different Dirac dispersions can be realized with exchange splittings ranging from 0 to 10 meV. Remarkably, not only the magnitude of the exchange couplings depends on the magnetic phase, but also the global sign and the type. Important, one can realize uniform (lambda(A)(ex) approximate to lambda(B)(ex)) and staggered (lambda(A)(ex) approximate to -lambda(B)(ex)) exchange couplings in graphene. From selected cases we find that the interlayer distance, as well as a transverse electric field, are efficient tuning knobs for the exchange splittings of the Dirac bands. More specifically, decreasing the interlayer distance by only about 10%, a giant fivefold enhancement of proximity exchange is found, while applying few V/nm of electric field, provides tunability of proximity exchange by tens of percent. We have also studied the dependence on the Hubbard U parameter and find it to be weak. Moreover, we find that the effect of SOC on the proximitized Dirac dispersion is negligible compared to the exchange coupling.
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Zollner, Klaus und Fabian, Jaroslav
(2022)
Proximity effects in graphene on monolayers of transition-metal phosphorus trichalcogenides MPX3.
Phys. Rev. B 106, 035137.
[Gegenwärtig angezeigt]-
Zollner, Klaus und Fabian, Jaroslav
(2022)
Data archive of Proximity effects in graphene on monolayers of transition-metal phosphorus trichalcogenides MPX3.
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Details
| Dokumentenart | Artikel | ||||
| Titel eines Journals oder einer Zeitschrift | Phys. Rev. B | ||||
| Verlag: | American Physical Society | ||||
|---|---|---|---|---|---|
| Ort der Veröffentlichung: | COLLEGE PK | ||||
| Band: | 106 | ||||
| Seitenbereich: | 035137 | ||||
| Datum | 20 Juli 2022 | ||||
| Institutionen | Physik > Institut für Theoretische Physik > Lehrstuhl Professor Richter > Arbeitsgruppe Jaroslav Fabian | ||||
| Identifikationsnummer |
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| Stichwörter / Keywords | NEUTRON-DIFFRACTION; SPIN; GRAPHITE; MNPSE3; | ||||
| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 530 Physik | ||||
| Status | Veröffentlicht | ||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||
| An der Universität Regensburg entstanden | Ja | ||||
| URN der UB Regensburg | urn:nbn:de:bvb:355-epub-537093 | ||||
| Dokumenten-ID | 53709 |
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