Journal article
Rational Design of Two-Dimensional Metallic and Semiconducting Spintronic Materials Based on Ordered Double-Transition-Metal MXenes
The journal of physical chemistry letters, v 8(2), pp 422-428
19 Jan 2017
PMID: 28036178
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
Two-dimensional (2D) materials that display robust ferromagnetism have been pursued intensively for nanoscale spintronic applications, but suitable candidates have not been identified. Here we present theoretical predictions on the design of ordered double-transition-metal MXene structures to achieve such a goal. On the basis of the analysis of electron filling in transition-metal cations and first-principles simulations, we demonstrate robust ferromagnetism in Ti
MnC
T
monolayers regardless of the surface terminations (T = O, OH, and F), as well as in Hf
MnC
O
and Hf
VC
O
monolayers. The high magnetic moments (3-4 μB/unit cell) and high Curie temperatures (495-1133 K) of these MXenes are superior to those of existing 2D ferromagnetic materials. Furthermore, semimetal-to-semiconductor and ferromagnetic-to-antiferromagnetic phase transitions are predicted to occur in these materials in the presence of small or moderate tensile in-plane strains (0-3%), which can be externally applied mechanically or internally induced by the choice of transition metals.
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Details
- Title
- Rational Design of Two-Dimensional Metallic and Semiconducting Spintronic Materials Based on Ordered Double-Transition-Metal MXenes
- Creators
- Liang Dong - Department of Materials Science and Engineering, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United StatesHemant Kumar - Department of Materials Science and Engineering, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United StatesBabak Anasori - Department of Materials Science & Engineering and A.J. Drexel Nanomaterials Institute, Drexel University , Philadelphia, Pennsylvania 19104, United StatesYury Gogotsi - Department of Materials Science & Engineering and A.J. Drexel Nanomaterials Institute, Drexel University , Philadelphia, Pennsylvania 19104, United StatesVivek B Shenoy - Department of Materials Science and Engineering, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United States
- Publication Details
- The journal of physical chemistry letters, v 8(2), pp 422-428
- Publisher
- American Chemical Society; Washington, DC
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering
- Web of Science ID
- WOS:000392560000017
- Scopus ID
- 2-s2.0-85014942567
- Other Identifier
- 991014878205304721
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InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Chemistry, Physical
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology
- Physics, Atomic, Molecular & Chemical