% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@PHDTHESIS{Mazhjoo:1046655,
      author       = {Mazhjoo, Donya},
      title        = {{A}b initio investigations of spin-orbit functionalized
                      graphene},
      volume       = {299},
      school       = {RWTH Aachen University},
      type         = {Dissertation},
      address      = {Jülich},
      publisher    = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
      reportid     = {FZJ-2025-03887},
      isbn         = {978-3-95806-847-6},
      series       = {Schriften des Forschungszentrums Jülich Reihe
                      Schlüsseltechnologien / Key Technologies},
      pages        = {163},
      year         = {2025},
      note         = {Dissertation, RWTH Aachen University, 2025},
      abstract     = {Graphene (Gr) has obtained significant attention in the
                      realm of advanced information technologies due to its
                      remarkable electronic properties, such as high carrier
                      mobility, an unusual quantum Hall effect, and long spin
                      lifetimes at room temperature. These attributes make Gr a
                      promising candidate for various applications, particularly
                      in spintronics. There, research on Co/Pt(111) ultra-thin
                      films, widely utilized in perpendicular magnetic recording,
                      focuses on enhancing material properties by adding buffer
                      layers and alloying with other elements. This thesis
                      explores the electronic and magnetic properties of Gr when
                      deposited on Co/heavy metal (HM) substrates, particularly
                      focusing on Pt and Ir as HMs. Our investigation aims to
                      elucidate the impact of Gr on Co/HM on magnetic exchange
                      interactions, with a particular focus on understanding the
                      spin-orbit coupling (SOC) effects like magnetocrystalline
                      anisotropy (MCA) and the interfacial Dzyaloshinskii- Moriya
                      interaction (DMI) at both Gr/Co and Co/HM interfaces. These
                      interactions are pivotal in influencing various magnetic
                      dynamics, including ferromagnetic resonance, spin waves, and
                      the behavior of chiral domain walls and skyrmions. Modern
                      electronic systems aspire to achieve high-speed operation
                      and low energy consumption, driving the development of
                      electric-field-controlled spintronic devices. The
                      experimental reports reveal evidence of interfacial DMI at
                      the Gr/Co interface, contrasting with the SOC-induced DMI
                      observed at the Co/HM interface. Additionally, we find that
                      depositing Gr leads to a reduction in DMI, potentially
                      enhancing the susceptibility of these structures to electric
                      fields. Efforts to manipulate DMI and MCA involve the
                      application of electric fields and the introduction of
                      various capping layers, including oxide capping layers and
                      an HM overlayer, to engineer electronic and magnetic
                      properties. Our exploration also extends to Gr-covered Co/Pt
                      multilayers, known for their perpendicular magnetic
                      anisotropy, contributing further to our understanding of the
                      intricate interplay between material compositions and
                      magnetic properties. These insights hold potential
                      implications for engineering DMI and MCA in future
                      spintronic devices. Theoretical advancements, particularly
                      in density functional theory (DFT), play a crucial role in
                      unraveling material properties. The Full-potential
                      Linearized Augmented Planewave (FLAPW) method is renowned
                      for its versatility and accuracy, making it a widely
                      accepted computational approach in materials science.
                      Utilizing the FLAPW method enables us to handle complex
                      systems, encompassing those with heavy atoms and pronounced
                      SOC effects. In this thesis, we utilize the FLEUR code,
                      which employs the film FLAPW method to compute the DMI in
                      the electric field, an essential parameter in spintronics
                      research. Our calculations consider SOC effects both in a
                      first-order perturbation theory for the DMI and
                      self-consistently for the MCA, aiming to stimulate
                      SOC-induced effects and deepen our understanding of these
                      phenomena.},
      cin          = {PGI-1},
      cid          = {I:(DE-Juel1)PGI-1-20110106},
      pnm          = {5211 - Topological Matter (POF4-521)},
      pid          = {G:(DE-HGF)POF4-5211},
      typ          = {PUB:(DE-HGF)3 / PUB:(DE-HGF)11},
      urn          = {urn:nbn:de:0001-2511111119126.932721774150},
      doi          = {10.34734/FZJ-2025-03887},
      url          = {https://juser.fz-juelich.de/record/1046655},
}