Journal
APPLIED PHYSICS LETTERS
Volume 109, Issue 2, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4958702
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Funding
- Program for New Century Excellent Talents in University, State Education Ministry of China [NCET-13-0409]
- High Performance Computing Center of Tianjin University, China
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We investigate the geometric structure and electronic and magnetic properties of 3d-transition-metal atom doped antimonene using spin-polarized first-principles calculations. Strong orbital hybridization exhibits between 3d-transition-metal and Sb atoms, where covalent bonds form in antimonene. A spin-polarized semiconducting state appears in Cr-doped antimonene, while half-metallic states appear by doping Ti, V, and Mn. These findings indicate that once combined with doping states, the bands of antimonene systems offer a variety of features. Specific dopants lead to half-metallic characters with high spin polarization that has potential application in spintronics. Published by AIP Publishing.
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