Journal Article

FZJ-2019-06230

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Fully Spin-Polarized Nodal Loop Semimetals in Alkaline Metal Monochalcogenide Monolayers

Zhou, X. ; Zhang, R.-W. ; Zhang, Z. ; Ma, D.-S. ; Feng, W. (Corresponding author)FZJ* ; Mokrousov, Y. (Corresponding author)FZJ* ; Yao, Y. (Corresponding author)

2019
ACS Washington, DC

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Please use a persistent id in citations: http://hdl.handle.net/2128/23569  doi:10.1021/acs.jpclett.9b00906

Abstract: Topological semimetals in ferromagnetic materials have attracted an enormous amount of attention due to potential applications in spintronics. Using first-principles density functional theory together with an effective lattice model, here we present a new family of topological semimetals with a fully spin-polarized nodal loop in alkaline metal monochalcogenide MX (M = Li, Na, K, Rb, or Cs; X = S, Se, or Te) monolayers. The half-metallic ferromagnetism can be established in MX monolayers, in which one nodal loop formed by two crossing bands with the same spin components is found at the Fermi energy. This nodal loop half-metal survives even when considering the spin–orbit coupling owing to the symmetry protection provided by the Mz mirror plane. The quantum anomalous Hall state and Weyl-like semimetal in this system can be also achieved by rotating the spin from the out-of-plane to the in-plane direction. The MX monolayers hosting rich topological phases thus offer an excellent platform for realizing advanced spintronic concepts.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)
3. JARA-FIT (JARA-FIT)
4. JARA - HPC (JARA-HPC)
5. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
2. Topological transport in real materials from ab initio (jiff40_20090701) (jiff40_20090701)

Appears in the scientific report 2019

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; IF >= 5 ; JCR ; NCBI Molecular Biology Database ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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