DOI: 10.1063/1.4870515. Manipulation of electronic and magnetic properties of M2C (M = Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains

Manipulation of electronic and magnetic properties of M2C (M = Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains

10.1063/1.4870515

Crossref journal-article

AIP Publishing

Applied Physics Letters (317)

Abstract

Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance the performance of electronic and spintronic devices. In this paper, first-principles calculations based on density functional theory are carried out to investigate the electronic and magnetic properties of M2C(M = Hf, Nb, Sc, Ta, Ti, V, Zr, known as MXenes) subjected to biaxial symmetric mechanical strains. At the strain-free state, all these MXenes exhibit no spontaneous magnetism except for Ti2C and Zr2C which show a magnetic moment of 1.92 and 1.25 μB/unit, respectively. As the tensile strain increases, the magnetic moments of MXenes are greatly enhanced and a transition from nonmagnetism to ferromagnetism is observed for those nonmagnetic MXenes at zero strains. The most distinct transition is found in Hf2C, in which the magnetic moment is elevated to 1.5 μB/unit at a strain of 1.80%. We further show that the magnetic properties of Hf2C are attributed to the band shift mainly composed of Hf(5d) states.

Bibliography

Zhao, S., Kang, W., & Xue, J. (2014). Manipulation of electronic and magnetic properties of M2C (M = Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains. Applied Physics Letters, 104(13).

Authors 3

Shijun Zhao (first)
Wei Kang (additional)
Jianming Xue (additional)

References 34 Referenced 167

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Dates

Type	When
Created	11 years, 4 months ago (April 3, 2014, 8:30 p.m.)
Deposited	2 years, 2 months ago (June 18, 2023, 12:23 a.m.)
Indexed	1 week, 5 days ago (Aug. 12, 2025, 6:06 p.m.)
Issued	11 years, 4 months ago (March 31, 2014)
Published	11 years, 4 months ago (March 31, 2014)
Published Online	11 years, 4 months ago (April 3, 2014)
Published Print	11 years, 4 months ago (March 31, 2014)

Funders 1

NSFC 10.13039/501100001809 National Natural Science Foundation of China
Region: Asia
gov (National government)
Labels11
1. Chinese National Science Foundation
2. Natural Science Foundation of China
3. National Science Foundation of China
4. NNSF of China
5. NSF of China
6. 国家自然科学基金委员会
7. National Nature Science Foundation of China
8. Guójiā Zìrán Kēxué Jījīn Wěiyuánhuì
9. NSFC
10. NNSF
11. NNSFC
Awards1
1. 11274019

BibTeX

@article{Zhao_2014, title={Manipulation of electronic and magnetic properties of M2C (M = Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains}, volume={104}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.4870515}, DOI={10.1063/1.4870515}, number={13}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Zhao, Shijun and Kang, Wei and Xue, Jianming}, year={2014}, month=mar }

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