Data from: Computational Prediction of the Low-Temperature Ferromagnetic Semiconducting 2D SiN Monolayer

Creators

Alexander I. Boldyrev, Utah State UniversityFollow
Nikolay Tkachenko, Utah State UniversityFollow

Description

Since the discovery of graphene, 2D materials have captured the minds of scientists because of their attractive and unique electronic properties. In particular, magnetic 2D materials have become a subject of extensive discussions today. Using density functional theory calculations, it is shown that 2D SiN sheet (built out of nonmetallic main group atoms) is a ferromagnetic semiconducting material with a magnetic moment 1 μB per unit cell and an indirect bandgap of 1.55 eV. Calculated phonon spectrum and conducted ab initio molecular dynamics simulation reveal thermal and dynamical stability of the designed material. It is shown that the ferromagnetic state is stable up to 20 K. Magnetism of silicon mononitride can be described by the presence of an unpaired electron located on silicon atoms. The semiconducting and ferromagnetic properties of SiN monolayer open many opportunities for its potential use in spintronic and nanoelectronic devices.

Author ORCID Identifier

Alexander I. Boldyrev https://orcid.org/0000-0002-8277-3669

Nikolay Tkachenko https://orcid.org/0000-0002-7296-4293

OCLC

1259518075

Document Type

Dataset

DCMI Type

Dataset

File Format

.zip, .txt, .tif, .pdf

Viewing Instructions

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Publication Date

6-16-2021

Funder

NSF, Division of Chemistry (CHE)

Publisher

Utah State University

Award Number

NSF, Division of Chemistry (CHE) 1664379

Award Title

Deciphering Delocalized Bonding in Excited States, Solvated Species and Novel 0-, 1-, 2-, and 3-Dimensional Chemical Systems

Methodology

See the README.txt file.

Referenced by

Tkachenko, N. V., Song, B., Steglenko, D., Minyaev, R. M., Yang, L.-M., & Boldyrev, A. I. (2020). Computational Prediction of the Low‐Temperature Ferromagnetic Semiconducting 2D SiN Monolayer. Physica Status Solidi (b), 257(3), 1900619. https://doi.org/10.1002/pssb.201900619

Language

eng

Code Lists

N/A

Disciplines

Chemistry

License

This work is licensed under a Creative Commons Attribution 4.0 License.

Identifier

https://doi.org/10.26078/6ezx-5646

Recommended Citation

Boldyrev, A. I., & Tkachenko, N. (2021). Data from: Computational Prediction of the Low-Temperature Ferromagnetic Semiconducting 2D SiN Monolayer. Utah State University. https://doi.org/10.26078/6EZX-5646

Checksum

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