Journal
APPLIED SURFACE SCIENCE
Volume 389, Issue -, Pages 594-600Publisher
ELSEVIER
DOI: 10.1016/j.apsusc.2016.07.091
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Funding
- National Science and Technology Major Project of the Ministry of Science and Technology of China [2013ZX04008011]
- Scientific Research Foundation of Graduate School of Southeast University [YBPY1602]
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Using first-principles calculations, we investigate the structural, electronic, and magnetic properties of 3d transition metal (TM) atoms substitutional doping of an arsenene monolayer. Based on the binding energy, the TM-substituted arsenene systems were found to be robust. Magnetic states were obtained for Ti, V, Cr, Mn and Fe doping. More importantly, a half-metallic state resulted from Ti and Mn doping, while the spin-polarized semiconducting state occurred with V, Cr and Fe doping. Our studies demonstrated the potential applications of TM-substituted arsenene for spintronics and magnetic storage devices. (C) 2016 Elsevier B.V. All rights reserved.
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