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

https://orcid.org/0000-0002-8277-3669

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

OCLC

1259518075

Document Type

Dataset

DCMI Type

Dataset

File Format

.zip, .txt, .tif, .pdf

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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

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

Identifier

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

Checksum

9a59d7c67d555bf4c4d3ccde0a055d77

Additional Files

README.txt (2 kB)
MD5: 20937a246cf54f2aaabb686243c8d53d

AFM_FM.zip (15907 kB)
MD5: f88fff6be640366fb2bcca5693f117b4

Bands.zip (48 kB)
MD5: c0d4cb1d3700cdbad5fb2cdc2cb9f90f

Bonding.zip (317 kB)
MD5: e9e4d30c8a1ced69fa164ac7297a03f6

Supporting_Information.pdf (644 kB)
MD5: 51cc4b54c9051db513163aaba2db982c

Included in

Chemistry Commons

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