Strain-controlled magnetic ordering in 2D carbon metamaterials
Abstract
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.
- Authors:
-
[1];
[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)
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)
- OSTI Identifier:
- 1618084
- Alternate Identifier(s):
- OSTI ID: 1703110
- Report Number(s):
- SAND-2019-12823J
Journal ID: ISSN 0008-6223; 680645
- Grant/Contract Number:
- AC04-94AL85000; EFMA-1433459; NA0003525
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Carbon
- Additional Journal Information:
- Journal Volume: 161; Journal Issue: C; Journal ID: ISSN 0008-6223
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; graphene; carbon; metamaterial; magnetism; DFT
Citation Formats
Liu, Dan, Kim, Eunja, Weck, Philippe F., and Tománek, David. Strain-controlled magnetic ordering in 2D carbon metamaterials. United States: N. p., 2020.
Web. doi:10.1016/j.carbon.2020.01.053.
Liu, Dan, Kim, Eunja, Weck, Philippe F., & Tománek, David. Strain-controlled magnetic ordering in 2D carbon metamaterials. United States. https://doi.org/10.1016/j.carbon.2020.01.053
Liu, Dan, Kim, Eunja, Weck, Philippe F., and Tománek, David. Fri .
"Strain-controlled magnetic ordering in 2D carbon metamaterials". United States. https://doi.org/10.1016/j.carbon.2020.01.053. https://www.osti.gov/servlets/purl/1618084.
@article{osti_1618084,
title = {Strain-controlled magnetic ordering in 2D carbon metamaterials},
author = {Liu, Dan and Kim, Eunja and Weck, Philippe F. and Tománek, David},
abstractNote = {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.},
doi = {10.1016/j.carbon.2020.01.053},
journal = {Carbon},
number = C,
volume = 161,
place = {United States},
year = {Fri Jan 24 00:00:00 EST 2020},
month = {Fri Jan 24 00:00:00 EST 2020}
}
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