Superlattices of Gadolinium and Bismuth Based Thallium Dichalcogenides as Potential Magnetic Topological Insulators

Vyazovskaya A. Y., Petrov E. K., Koroteev Y. M., Bosnar M., Silkin I. V., Chulkov E., ...daha çox

Nanomaterials, vol.13, no.1, 2023 (SCI-Expanded, Scopus) identifier identifier

  • Nəşrin Növü: Article / Article
  • Cild: 13 Say: 1
  • Nəşr tarixi: 2023
  • Doi nömrəsi: 10.3390/nano13010038
  • jurnalın adı: Nanomaterials
  • Jurnalın baxıldığı indekslər: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Chemical Abstracts Core, Communication Abstracts, Food Science & Technology Abstracts, INSPEC, Metadex, Directory of Open Access Journals, Civil Engineering Abstracts
  • Açar sözlər: density functional theory, electronic structure, magnetic properties, topological insulator
  • Açıq Arxiv Kolleksiyası: Məqalə
  • Adres: Bəli

Qısa məlumat

Using relativistic spin-polarized density functional theory calculations we investigate magnetism, electronic structure and topology of the ternary thallium gadolinium dichalcogenides TlGd (Formula presented.) ((Formula presented.) Se and Te) as well as superlattices on their basis. We find TlGd (Formula presented.) to have an antiferromagnetic exchange coupling both within and between the Gd layers, which leads to frustration and a complex magnetic structure. The electronic structure calculations reveal both TlGdSe (Formula presented.) and TlGdTe (Formula presented.) to be topologically trivial semiconductors. However, as we show further, a three-dimensional (3D) magnetic topological insulator (TI) state can potentially be achieved by constructing superlattices of the TlGd (Formula presented.) /(TlBi (Formula presented.)) (Formula presented.) type, in which structural units of TlGd (Formula presented.) are alternated with those of the isomorphic TlBi (Formula presented.) compounds, known to be non-magnetic 3D TIs. Our results suggest a new approach for achieving 3D magnetic TI phases in such superlattices which is applicable to a large family of thallium rare-earth dichalcogenides and is expected to yield a fertile and tunable playground for exotic topological physics.