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Zollner, Klaus ; Cummings, Aron W. ; Roche, Stephan ; Fabian, Jaroslav

Data Archive of Graphene on two-dimensional hexagonal BN, AlN, and GaN: Electronic, spin-orbit, and spin relaxation properties

Zollner, Klaus , Cummings, Aron W. , Roche, Stephan und Fabian, Jaroslav (2021) Data Archive of Graphene on two-dimensional hexagonal BN, AlN, and GaN: Electronic, spin-orbit, and spin relaxation properties. [Datensatz]

Veröffentlichungsdatum dieses Volltextes: 07 Okt 2024 13:59
Datensatz
DOI zum Zitieren dieses Dokuments: 10.5283/epub.59315


Zusammenfassung

We investigate the electronic band structure of graphene on a series of two-dimensional hexagonal nitride insulators hXN, X = B, A1, and Ga, with first-principles calculations. A symmetry-based model Hamiltonian is employed to extract orbital parameters and spin-orbit coupling (SOC) from the low-energy Dirac bands of the proximitized graphene. While commensurate hBN induces a staggered potential ...

We investigate the electronic band structure of graphene on a series of two-dimensional hexagonal nitride insulators hXN, X = B, A1, and Ga, with first-principles calculations. A symmetry-based model Hamiltonian is employed to extract orbital parameters and spin-orbit coupling (SOC) from the low-energy Dirac bands of the proximitized graphene. While commensurate hBN induces a staggered potential of about 10 meV into the Dirac band structure, less lattice-matched hA1N and hGaN disrupt the Dirac point much less, giving a staggered gap below 100 mu eV. Proximitized intrinsic SOC surprisingly does not increase much above the pristine graphene value of 12 mu eV; it stays in the window of 1-16 mu eV, depending strongly on stacking. However, Rashba SOC increases sharply when increasing the atomic number of the boron group, with calculated maximal values of 8, 15, and 65 mu eV for B-, Al-, and Ga-based nitrides, respectively. The individual Rashba couplings also depend strongly on stacking, vanishing in symmetrically sandwiched structures, and can be tuned by a transverse electric field. The extracted spin-orbit parameters were used as input for spin transport simulations based on Chebyshev expansion of the time-evolution of the spin expectation values, yielding interesting predictions for the electron spin relaxation. Spin lifetime magnitudes and anisotropies depend strongly on the specific (hXN)/graphene/hXN system, and they can be efficiently tuned by an applied external electric field as well as the carrier density in the graphene layer. A particularly interesting case for experiments is graphene/hGaN, in which the giant Rashba coupling is predicted to induce spin lifetimes of 1-10 ns, short enough to dominate over other mechanisms, and lead to the same spin relaxation anisotropy as that observed in conventional semiconductor heterostructures: 50%, meaning that out-of-plane spins relax twice as fast as in-plane spins.



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Details

DokumentenartDatensatz
Titel eines Journals oder einer ZeitschriftPhysical Review B
Verlag:AMER PHYSICAL SOC
Ort der Veröffentlichung:COLLEGE PK
Band:103
Seitenbereich:075129
DatumFebruar 2021
InstitutionenPhysik > Institut für Theoretische Physik > Lehrstuhl Professor Richter > Arbeitsgruppe Jaroslav Fabian
Identifikationsnummer
WertTyp
2011.14588arXiv-ID
10.1103/PhysRevB.103.075129DOI
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 530 Physik
StatusUnveröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenZum Teil
URN der UB Regensburgurn:nbn:de:bvb:355-epub-593159
Dokumenten-ID59315

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