Strain-controlled magnetic ordering in 2D carbon metamaterials

Liu, Dan; Kim, Eunja; Weck, Philippe F.; Tománek, David

doi:10.1016/j.carbon.2020.01.053

Strain-controlled magnetic ordering in 2D carbon metamaterials

Journal Article · Thu Jan 23 23:00:00 EST 2020 · Carbon

DOI:https://doi.org/10.1016/j.carbon.2020.01.053· OSTI ID:1618084

^[1]; Kim, Eunja ^[2]; Weck, Philippe F. ^[3]; ^[1]

Michigan State Univ., East Lansing, MI (United States)
Univ. of Nevada, Las Vegas, NV (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Here, we use ab initio spin-polarized density functional theory to study the magnetic order in a Kagomé-like 2D metamaterial consisting of pristine or substitutionally doped phenalenyl radicals polymerized into a nanoporous, graphene-like structure. In this and in a larger class of related structures, the constituent polyaromatic hydrocarbon molecules can be considered as quantum dots that may carry a net magnetic moment. The structure of this porous system and the coupling between the quantum dots may be changed significantly by applying moderate strain, thus allowing to control the magnetic order and the underlying electronic structure.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)

Grant/Contract Number:: AC04-94AL85000; NA0003525

OSTI ID:: 1618084

Alternate ID(s):: OSTI ID: 1703110

Report Number(s):: SAND--2019-12823J; 680645

Journal Information:: Carbon, Journal Name: Carbon Journal Issue: C Vol. 161; ISSN 0008-6223

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
DFT
carbon
graphene
magnetism
metamaterial

Strain-controlled magnetic ordering in 2D carbon metamaterials

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