Stacking-Dependent Magnetism in Bilayer CrI                         3

Nikhil Sivadas; Satoshi Okamoto; Xiaodong Xu; Craig J. Fennie; Di Xiao

doi:10.1021/acs.nanolett.8b03321

Stacking-Dependent Magnetism in Bilayer CrI ₃

Nikhil Sivadas, Satoshi Okamoto, Xiaodong Xu, Craig J. Fennie, Di Xiao

Materials Theory

Research output: Contribution to journal › Article › peer-review

515 Scopus citations

Abstract

We report the connection between the stacking order and magnetic properties of bilayer CrI ₃ using first-principles calculations. We show that the stacking order defines the magnetic ground state. By changing the interlayer stacking order, one can tune the interlayer exchange interaction between antiferromagnetic and ferromagnetic. To measure the predicted stacking-dependent magnetism, we propose using linear magnetoelectric effect. Our results not only gives a possible explanation for the observed antiferromagnetism in bilayer CrI ₃ but also have direct implications in heterostructures made of two-dimensional magnets.

Original language	English
Pages (from-to)	7658-7664
Number of pages	7
Journal	Nano Letters
Volume	18
Issue number	12
DOIs	https://doi.org/10.1021/acs.nanolett.8b03321
State	Published - Dec 12 2018

Funding

N.S. and C.J.F. are supported by NSF through the Platform for the Accelerated Realization, Analysis, and Discovery of Interface Materials (PARADIM) (DMR-1539918), S.O. is supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, D.X. and X.X. acknowledge the support from DOE BES Pro-QM EFRC (DE-SC0019443). The authors thank Kin Fai Mak, Jie Shan, David Muller, and Darrell Schlom for interesting discussions and insightful comments. N.S. thanks Valentino R. Cooper for sharing the input files for bulk CrI3. N.S. would also like to thank Gerhard H. Olsen, Betül Pamuk, Matthew W. Daniels, Hena Das and Jisha V. M for various discussions and help with visualization. N.S. thanks the Cornell University Center for Advanced Computing for the computing time.

Funders	Funder number
DOE BES Pro-QM EFRC	DE-SC0019443
National Science Foundation	DMR-1539918
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Division of Materials Sciences and Engineering

Keywords

2D magnets
CrI
Moiré superlattices
beyond graphene
stacking order
super-superexchange

Access to Document

10.1021/acs.nanolett.8b03321

Cite this

@article{3b1c5b4e4eef4f52902aac2cc5f98b29,

title = " Stacking-Dependent Magnetism in Bilayer CrI 3 ",

abstract = " We report the connection between the stacking order and magnetic properties of bilayer CrI 3 using first-principles calculations. We show that the stacking order defines the magnetic ground state. By changing the interlayer stacking order, one can tune the interlayer exchange interaction between antiferromagnetic and ferromagnetic. To measure the predicted stacking-dependent magnetism, we propose using linear magnetoelectric effect. Our results not only gives a possible explanation for the observed antiferromagnetism in bilayer CrI 3 but also have direct implications in heterostructures made of two-dimensional magnets.",

keywords = "2D magnets, CrI, Moir{\'e} superlattices, beyond graphene, stacking order, super-superexchange",

author = "Nikhil Sivadas and Satoshi Okamoto and Xiaodong Xu and Fennie, {Craig J.} and Di Xiao",

note = "Publisher Copyright: {\textcopyright} 2018 American Chemical Society.",

year = "2018",

month = dec,

day = "12",

doi = "10.1021/acs.nanolett.8b03321",

language = "English",

volume = "18",

pages = "7658--7664",

journal = "Nano Letters",

issn = "1530-6984",

publisher = "American Chemical Society",

number = "12",

}

TY - JOUR

T1 - Stacking-Dependent Magnetism in Bilayer CrI 3

AU - Sivadas, Nikhil

AU - Okamoto, Satoshi

AU - Xu, Xiaodong

AU - Fennie, Craig J.

AU - Xiao, Di

PY - 2018/12/12

Y1 - 2018/12/12

N2 - We report the connection between the stacking order and magnetic properties of bilayer CrI 3 using first-principles calculations. We show that the stacking order defines the magnetic ground state. By changing the interlayer stacking order, one can tune the interlayer exchange interaction between antiferromagnetic and ferromagnetic. To measure the predicted stacking-dependent magnetism, we propose using linear magnetoelectric effect. Our results not only gives a possible explanation for the observed antiferromagnetism in bilayer CrI 3 but also have direct implications in heterostructures made of two-dimensional magnets.

AB - We report the connection between the stacking order and magnetic properties of bilayer CrI 3 using first-principles calculations. We show that the stacking order defines the magnetic ground state. By changing the interlayer stacking order, one can tune the interlayer exchange interaction between antiferromagnetic and ferromagnetic. To measure the predicted stacking-dependent magnetism, we propose using linear magnetoelectric effect. Our results not only gives a possible explanation for the observed antiferromagnetism in bilayer CrI 3 but also have direct implications in heterostructures made of two-dimensional magnets.

KW - 2D magnets

KW - CrI

KW - Moiré superlattices

KW - beyond graphene

KW - stacking order

KW - super-superexchange

UR - http://www.scopus.com/inward/record.url?scp=85056905048&partnerID=8YFLogxK

U2 - 10.1021/acs.nanolett.8b03321

DO - 10.1021/acs.nanolett.8b03321

M3 - Article

C2 - 30408960

AN - SCOPUS:85056905048

SN - 1530-6984

VL - 18

SP - 7658

EP - 7664

JO - Nano Letters

JF - Nano Letters

IS - 12

ER -