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Author Yang, L. F. ♦ Song, Y. ♦ Mi, W. B. ♦ Wang, X. C.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS ♦ ATOMS ♦ CHEMICAL BONDS ♦ COVALENCE ♦ DOPED MATERIALS ♦ ELECTRONIC STRUCTURE ♦ FORECASTING ♦ GEOMETRY ♦ MAGNETIC PROPERTIES ♦ SPIN ORIENTATION ♦ TRANSITION ELEMENTS ♦ TWO-DIMENSIONAL SYSTEMS
Abstract 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.
ISSN 00036951
Educational Use Research
Learning Resource Type Article
Publisher Date 2016-07-11
Publisher Place United States
Journal Applied Physics Letters
Volume Number 109
Issue Number 2


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