Open AccessMagnetic and electronic properties of fluorographene sheet with foreign atom substitutions
Author(s) -
Gao Tan-Hua
Publication year - 2014
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.63.046102
Subject(s) - doping , atom (system on chip) , semiconductor , materials science , magnetic moment , density functional theory , atomic physics , magnetic semiconductor , spin (aerodynamics) , electronic structure , condensed matter physics , physics , optoelectronics , computer science , quantum mechanics , thermodynamics , embedded system
The magnetic and electronic properties of fluorographene doped with M (M=B, N, P, Si) atoms are studied by employing the first principles calculation based on the spin-polarized density functional theory. The results show that the fluorographene doped with B (or P) atoms can cause the semiconductor-to-metal transitions and the fluorographene with doped N (or Si) atoms is still the semiconductor; the substitutional B, P, and N atoms induce magnetic moments of adjacent carbon atoms. For Si atoms doped fluorographene sheet, semiconductor properties keep unchanged, but the band gap changes.