Screening magnetic two-dimensional atomic crystals with nontrivial electronic topology

  • Hang Liu
  • , Jia Tao Sun*
  • , Miao Liu
  • , Sheng Meng
  • *Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

69 Citations (Scopus)

Abstract

To date, only a few two-dimensional (2D) magnetic crystals have been experimentally confirmed, such as CrI3 and CrGeTe3, all with very low Curie temperatures (TC). High-throughput first-principles screening over a large set of materials yields 89 magnetic monolayers including 56 ferromagnetic (FM) and 33 antiferromagnetic compounds. Among them, 24 FM monolayers are promising candidates possessing TC higher than that of CrI3. High TC monolayers with fascinating electronic phases are identified: (i) quantum anomalous Hall and valley Hall effects coexist in a single material RuCl3 or VCl3, leading to a valley-polarized quantum anomalous Hall state; (ii) TiBr3, Co2NiO6, and V2H3O5 are revealed to be half-metals. More importantly, a new type of fermion dubbed type-II Weyl ring is discovered in ScCl. Our work provides a database of 2D magnetic materials, which could guide experimental realization of high-temperature magnetic monolayers with exotic electronic states for future spintronics and quantum computing applications.

Original languageEnglish
Pages (from-to)6709-6715
Number of pages7
JournalJournal of Physical Chemistry Letters
Volume9
Issue number23
DOIs
Publication statusPublished - 6 Dec 2018
Externally publishedYes

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