Strain-controlled magnetic ordering in 2D carbon metamaterials

Journal Article · 24 January 2020 · Carbon

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

Liu, Dan  ^[1]; Kim, Eunja ^[2]; Weck, Philippe F. ^[3]; Tománek, David  ^[1]

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1. Michigan State Univ., East Lansing, MI (United States)
2. Univ. of Nevada, Las Vegas, NV (United States)
3. 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.

• Research Organization: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)
• Grant/Contract Number: AC04-94AL85000; EFMA-1433459; NA0003525
• OSTI ID: 1618084
• Alternate ID(s): OSTI ID: 1703110
• Report Number(s): SAND-2019-12823J; 680645
• Journal Information: Carbon, Vol. 161, Issue C; ISSN 0008-6223
• Publisher: ElsevierCopyright Statement
• Country of Publication: United States
• Language: English