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Title: Valence band electronic structure of the van der Waals ferromagnetic insulators: VI3 and CrI3

Abstract

Ferromagnetic van der Waals (vdW) insulators are of great scientific interest for their promising applications in spintronics. It has been indicated that in the two materials within this class, CrI3 and VI3, the magnetic ground state, the band gap, and the Fermi level could be manipulated by varying the layer thickness, strain or doping. To understand how these factors impact the properties, a detailed understanding of the electronic structure would be required. However, the experimental studies of the electronic structure of these materials are still very sparse. Here, we present the detailed electronic structure of CrI3 and VI3 measured by angle-resolved photoemission spectroscopy (ARPES). Our results show a band-gap of the order of 1 eV, sharply contrasting some theoretical predictions such as Dirac half-metallicity and metallic phases, indicating that the intra-atomic interaction parameter (U) and spin-orbit coupling (SOC) were not properly accounted for in the calculations. We also find significant differences in the electronic properties of these two materials, in spite of similarities in their crystal structure. In CrI3, the valence band maximum is dominated by the I 5p, whereas in VI3 it is dominated by the V 3d derived states. Our results represent valuable input for further improvements inmore » the theoretical modeling of these systems.« less

Authors:
 [1];  [2];  [1];  [1]
+ Show Author Affiliations
  1. Brookhaven National Lab. (BNL), Upton, NY (United States)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1767413
Report Number(s):
BNL-221075-2021-JAAM
Journal ID: ISSN 2045-2322; TRN: US2206362
Grant/Contract Number:  
SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 10; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Materials science; physics

Citation Formats

Kundu, Asish K., Liu, Yu, Petrovic, C., and Valla, T. Valence band electronic structure of the van der Waals ferromagnetic insulators: VI3 and CrI3. United States: N. p., 2020. Web. doi:10.1038/s41598-020-72487-5.
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Kundu, Asish K., Liu, Yu, Petrovic, C., & Valla, T. Valence band electronic structure of the van der Waals ferromagnetic insulators: VI3 and CrI3. United States. https://doi.org/10.1038/s41598-020-72487-5
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Kundu, Asish K., Liu, Yu, Petrovic, C., and Valla, T. Thu . "Valence band electronic structure of the van der Waals ferromagnetic insulators: VI3 and CrI3". United States. https://doi.org/10.1038/s41598-020-72487-5. https://www.osti.gov/servlets/purl/1767413.
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@article{osti_1767413,
title = {Valence band electronic structure of the van der Waals ferromagnetic insulators: VI3 and CrI3},
author = {Kundu, Asish K. and Liu, Yu and Petrovic, C. and Valla, T.},
abstractNote = {Ferromagnetic van der Waals (vdW) insulators are of great scientific interest for their promising applications in spintronics. It has been indicated that in the two materials within this class, CrI3 and VI3, the magnetic ground state, the band gap, and the Fermi level could be manipulated by varying the layer thickness, strain or doping. To understand how these factors impact the properties, a detailed understanding of the electronic structure would be required. However, the experimental studies of the electronic structure of these materials are still very sparse. Here, we present the detailed electronic structure of CrI3 and VI3 measured by angle-resolved photoemission spectroscopy (ARPES). Our results show a band-gap of the order of 1 eV, sharply contrasting some theoretical predictions such as Dirac half-metallicity and metallic phases, indicating that the intra-atomic interaction parameter (U) and spin-orbit coupling (SOC) were not properly accounted for in the calculations. We also find significant differences in the electronic properties of these two materials, in spite of similarities in their crystal structure. In CrI3, the valence band maximum is dominated by the I 5p, whereas in VI3 it is dominated by the V 3d derived states. Our results represent valuable input for further improvements in the theoretical modeling of these systems.},
doi = {10.1038/s41598-020-72487-5},
journal = {Scientific Reports},
number = 1,
volume = 10,
place = {United States},
year = {Thu Sep 24 00:00:00 EDT 2020},
month = {Thu Sep 24 00:00:00 EDT 2020}
}
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https://doi.org/10.1038/s41598-020-72487-5
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