Journal
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
Volume 105, Issue -, Pages 61-65Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jpcs.2017.02.009
Keywords
Graphdiyne; Ferromagnetic semiconductor; Spin filtering
Funding
- National Natural Science Foundation of China [11374237, 11074196]
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Ferromagnetism in half-metallic two-dimensional material can lead to unique spintronics application. In this work, Cr-doped single-layer graphdiyne is predicted to be two-dimensional ferromagnetic semiconductor, and Mn-doped graphdiyne is predicted to be ferromagnetic conductor using first-principle calculations. Cr and Mn adatoms could be stabilized on the corner sites of graphdiyne sheet due to high migration barriers. The currents through Cr- and Mn-doped graphdiyne possess spin polarization feature. For Cr-doped graphdiyne system, the transmission polarization is up to 100% and could be controlled by the gate voltage. Cr-/Mn-doped graphdiyne with spin-polarized semiconductor/conductor properties could be promising material for combined usage in spintronics application.
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