Universität zu Köln

Yang, Ke, Fan, Fengren, Wang, Hongbo ORCID: 0000-0003-1087-0627, Khomskii, D., I and Wu, Hua ORCID: 0000-0003-1280-202X (2020). VI3: A two-dimensional Ising ferromagnet. Phys. Rev. B, 101 (10). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2469-9969

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Abstract

Two-dimensional (2D) magnetic materials are of great current interest for their promising applications in spintronics. Here we propose the van der Waals (vdW) material VI3 to be a 2D Ising ferromagnet (FM), using density functional calculations, crystal field level diagrams, superexchange model analyses, and Monte Carlo simulations. The a(1g) (1)e'(1)_ground state in the trigonal crystal field gives rise to the 2D Ising FM due to a significant single ion anisotropy (SIA) and enhanced FM superexchange both associated with the S-z = 1 and L-z = -1 states of V3+ ions. We find that a tensile strain on the VI3 monolayer further stabilizes the a(1g) (1)e'(1)_ground state, and its Curie temperature (T-c) would increase from 70 to 90-110 K under a 2.5%-5% tensile strain. Moreover, we suggest a group of spin-orbital states with a strong SIA which may help to search more 2D Ising magnets.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Yang, Ke UNSPECIFIED UNSPECIFIED UNSPECIFIED Fan, Fengren UNSPECIFIED UNSPECIFIED UNSPECIFIED Wang, Hongbo UNSPECIFIED orcid.org/0000-0003-1087-0627 UNSPECIFIED Khomskii, D., I UNSPECIFIED UNSPECIFIED UNSPECIFIED Wu, Hua UNSPECIFIED orcid.org/0000-0003-1280-202X UNSPECIFIED
URN:	urn:nbn:de:hbz:38-341265
DOI:	10.1103/PhysRevB.101.100402
Journal or Publication Title:	Phys. Rev. B
Volume:	101
Number:	10
Date:	2020
Publisher:	AMER PHYSICAL SOC
Place of Publication:	COLLEGE PK
ISSN:	2469-9969
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language INTRINSIC FERROMAGNETISM; CRYSTAL Multiple languages Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/34126