Strain-controlled magnetic ordering in 2D carbon metamaterials

被引：4

作者：

Liu, Dan ^{[1
]}

Kim, Eunja ^{[2
]}

Weck, Philippe F. ^{[3
]}

Tomanek, David ^{[1
]}

机构：

[1] Michigan State Univ, Phys & Astron Dept, E Lansing, MI 48824 USA

[2] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA

[3] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA

来源：

CARBON | 2020年 / 161卷

关键词：

Graphene; Carbon; Metamaterial; Magnetism; DFT; TOTAL-ENERGY CALCULATIONS; SPIN-DENSITIES; ELECTRON-GAS; TRANSITION;

D O I：

10.1016/j.carbon.2020.01.053

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We use ab initio spin-polarized density functional theory to study the magnetic order in a Kagome-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. (C) 2020 Elsevier Ltd. All rights reserved.

引用

页码：219 / 223

页数：5