Partial charge transfer and absence of induced magnetization in EuS(111)/Bi2Se3 heterostructures

Tristant, Damien; Vekhter, Ilya; Meunier, Vincent; Shelton, William A.

doi:10.1103/physrevb.104.075128

Title: Partial charge transfer and absence of induced magnetization in EuS(111)/Bi₂Se₃ heterostructures

Journal Article · 16 August 2021 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.104.075128 · OSTI ID:1851621

^[1]; Vekhter, Ilya ^[2]; Meunier, Vincent ^[3]; Shelton, William A. ^[2]

Louisiana State Univ., Baton Rouge, LA (United States); OSTI
Louisiana State Univ., Baton Rouge, LA (United States)
Rensselaer Polytechnic Inst., Troy, NY (United States)

We report that heterostructures made from topological and magnetic insulators promise to form excellent platforms for new electronic and spintronic functionalities mediated by interfacial effects. We report the results of a first-principles density functional theory study of the geometric, electronic structure, and magnetic properties of the EuS( 111 )/Bi₂Se₃ interface, including van der Waals and relativistic spin-orbit effects. In contrast to previous theoretical studies, we find no appreciable magnetic anisotropy in such a heterostructure. We also do not see additional induced magnetization at the interface or the magnetic proximity effect on the topological states. This is due to the localized nature of Eu moments and because of a partial charge transfer of ~ 0.5 electron from Eu to Se. The formation of the surface dipole shifts the Dirac cone about 0.4 eV below the chemical potential, and the associated electrostatic screening moves the topological state from the first to the second quintuple layer of Bi₂Se₃ .

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Research Organization:: Louisiana State Univ., Baton Rouge, LA (United States); Rensselaer Polytechnic Inst., Troy, NY (United States)

Sponsoring Organization:: Louisiana Board of Regents; National Science Foundation (NSF); USDOE Office of Science (SC)

Grant/Contract Number:: SC0012432

OSTI ID:: 1851621

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 7 Vol. 104; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Partial charge transfer and absence of induced magnetization in EuS(111)/Bi2Se3 heterostructures

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Title: Partial charge transfer and absence of induced magnetization in EuS(111)/Bi₂Se₃ heterostructures