Giant magnetic anisotropy in single-molecule magnet with transition-metal adatom

Wei Zou and Jun Hu
Additional contact information
Wei Zou: School of Physical Science and Technology, Soochow University, Suzhou 215006, P. R. China
Jun Hu: School of Physical Science and Technology, Soochow University, Suzhou 215006, P. R. China†School of Physical Science and Technology, Ningbo University, Ningbo 315211, P. R. China

International Journal of Modern Physics C (IJMPC), 2023, vol. 34, issue 01, 1-10

Abstract: Search for single-molecule magnets with large magnetic anisotropy energy (MAE) is of great interest, due to the promising potential of application in molecular spintronics devices. Here, we studied the electronic and magnetic properties of a series of transition metal dithiolenes TM(mnt)2, based on first-principles calculations. Although the original TM(mnt)2 molecules do not exhibit large MAE, they can be engineered by placing an additional TM adatom and large MAE can be achieved. The analysis based on the perturbation theory reveals the origin of the large MAE. Our work paves the way to engineer the MAE in single-molecule magnets.

Keywords: Single-molecule magnets; magnetic anisotropy; transition-metal adatom; spin-orbit coupling (search for similar items in EconPapers)
Date: 2023
References: Add references at CitEc
Citations:

Downloads: (external link)
http://www.worldscientific.com/doi/abs/10.1142/S0129183123500079
Access to full text is restricted to subscribers

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:wsi:ijmpcx:v:34:y:2023:i:01:n:s0129183123500079

Ordering information: This journal article can be ordered from

DOI: 10.1142/S0129183123500079

Access Statistics for this article

International Journal of Modern Physics C (IJMPC) is currently edited by H. J. Herrmann

More articles in International Journal of Modern Physics C (IJMPC) from World Scientific Publishing Co. Pte. Ltd.
Bibliographic data for series maintained by Tai Tone Lim ().