|Author||Yang, L. F. ♦ Song, Y. ♦ Mi, W. B. ♦ Wang, X. C.|
|Source||United States Department of Energy Office of Scientific and Technical Information|
|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.|
|Learning Resource Type||Article|
|Publisher Place||United States|
|Journal||Applied Physics Letters|
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