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Title: 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:
ORCiD logo [1];  [2];  [3]; ORCiD logo [1]
  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)
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. https://doi.org/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 = {2020},
month = {1}
}

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Cited by: 1 work
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