Substitution induced and stress controlled magnetism in 2D pyrene-based carbon nanomaterial

SURFACE SCIENCE

卷:709

Article

Gruszka, Konrad M.¹  Durajski, Artur P.¹ 

[1] Czestochowa Tech Univ, Dept Phys, Ave Armii Krajowej 19, PL-42200 Czestochowa, Poland

关键词: Pyrene;    Electronic properties;    Magnetic properties;    Doping;    DFT;   

DOI  :  10.1016/j.susc.2021.121836

来源: Elsevier

【 摘 要 】

Recently two-dimensional hexagonal structures have been widely studied due to their unique electronic and magnetic properties as well as promising applications in nano-devices. In this paper, we present a density functional theory study of two-dimensional dehydrogenated pyrene-based polymerized material substitutionally doped using boron and nitrogen atoms. We systematically explore the electronic, structural, and magnetic properties of modified nanosheet additionally subjected to in-plane strain. As our results show, this material is vulnerable to modest strain which significantly affects its electronic and magnetic properties. Due to the excellent ability to modify properties in a wide range, this material is especially interesting for a wide variety of potential applications including nano-magnetic and spintronic devices as well as very effective magnetic strain sensors.

【 授权许可】

Free