Journal
PHYSICS LETTERS A
Volume 380, Issue 46, Pages 3928-3931Publisher
ELSEVIER
DOI: 10.1016/j.physleta.2016.09.052
Keywords
Low-dimensional materials; Itinerant-electronic system; Density functional theory
Categories
Funding
- National Key Research and Development Program [2016YFA0300404]
- National Natural Science Foundation of China [11404340, 11274311, U1232139]
- Anhui Provincial Natural Science Foundation [1408085MA11]
- Youth Innovation Promotion Association, CAS [2012310]
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The electronic and magnetic properties of borophene functionalized by 3d transition metal (TM) atom adsorption are investigated by using first-principles calculations. The results show that the 3d TM atoms can be adsorbed on borophene with high binding energies ranging between 5.9 and 8.3 eV. Interestingly, the originally nonmagnetic borophene tends to be ferromagnetic when Ti, V, Cr, Mn, and Fe atoms are adsorbed, and the magnetic moments are dominated by the TM atoms. The origin of the ferromagnetism is discussed based on the Stoner criterion. Our results indicate that the magnetic properties of borophene can be effectively tuned through the adsorption of 3d TM atoms, which could have promising applications in spintronics and nanoelectronics. (C) 2016 Elsevier B.V. All rights reserved.
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